3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one — IUPAC name, SMILES, InChIKey & properties

Name: 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one

3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 158853997) has the molecular formula C88H107N7O17 and a molecular weight of 1534.86 g/mol. Its IUPAC name is 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name	3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID	158853997
Molecular Formula	C88H107N7O17
Molecular Weight	1534.86 g/mol
Exact Mass	1533.77
IUPAC Name	3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILES	C.CN(C)C[C@@H]1COC(=O)N1C(=O)c1ccc(OCCc2ccccc2)cc1.C[C@@H]1COC(=O)N1C(=O)CCCCCc1ccccc1.O=C(CCCCCc1ccc(O)cc1)N1CCCC1=O.O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCOC1=O.O=C1OCCN1C(=O)C1CCN(Cc2ccccc2)CC1
InChI	InChI=1S/C21H24N2O4.C18H17NO4.C16H20N2O3.2C16H21NO3.CH4/c1-22(2)14-18-15-27-21(25)23(18)20(24)17-8-10-19(11-9-17)26-13-12-16-6-4-3-5-7-16;20-17(19-10-11-22-18(19)21)12-14-6-8-16(9-7-14)23-13-15-4-2-1-3-5-15;19-15(18-10-11-21-16(18)20)14-6-8-17(9-7-14)12-13-4-2-1-3-5-13;1-13-12-20-16(19)17(13)15(18)11-7-3-6-10-14-8-4-2-5-9-14;18-14-10-8-13(9-11-14)5-2-1-3-6-15(19)17-12-4-7-16(17)20;/h3-11,18H,12-15H2,1-2H3;1-9H,10-13H2;1-5,14H,6-12H2;2,4-5,8-9,13H,3,6-7,10-12H2,1H3;8-11,18H,1-7,12H2;1H4/t18-;;;13-;;/m1..1../s1
InChIKey	IZURBMFSSUNXMN-DIIXYIPWSA-N
XLogP	13.93
TPSA	268.99 Å²
H-Bond Donors	1
H-Bond Acceptors	19
Rotatable Bonds	27
Heavy Atoms	112
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.86
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (CID 158853997) is 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is C.CN(C)C[C@@H]1COC(=O)N1C(=O)c1ccc(OCCc2ccccc2)cc1.C[C@@H]1COC(=O)N1C(=O)CCCCCc1ccccc1.O=C(CCCCCc1ccc(O)cc1)N1CCCC1=O.O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCOC1=O.O=C1OCCN1C(=O)C1CCN(Cc2ccccc2)CC1.

What is the InChIKey of 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?

The InChIKey is IZURBMFSSUNXMN-DIIXYIPWSA-N. The full InChI is InChI=1S/C21H24N2O4.C18H17NO4.C16H20N2O3.2C16H21NO3.CH4/c1-22(2)14-18-15-27-21(25)23(18)20(24)17-8-10-19(11-9-17)26-13-12-16-6-4-3-5-7-16;20-17(19-10-11-22-18(19)21)12-14-6-8-16(9-7-14)23-13-15-4-2-1-3-5-15;19-15(18-10-11-21-16(18)20)14-6-8-17(9-7-14)12-13-4-2-1-3-5-13;1-13-12-20-16(19)17(13)15(18)11-7-3-6-10-14-8-4-2-5-9-14;18-14-10-8-13(9-11-14)5-2-1-3-6-15(19)17-12-4-7-16(17)20;/h3-11,18H,12-15H2,1-2H3;1-9H,10-13H2;1-5,14H,6-12H2;2,4-5,8-9,13H,3,6-7,10-12H2,1H3;8-11,18H,1-7,12H2;1H4/t18-;;;13-;;/m1..1../s1.

What are the key properties of 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?

Where does this data come from?

All data for 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;1-[6-(4-hydroxyphenyl)hexanoyl]pyrrolidin-2-one;methane;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158853997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).