3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide

C30H37N3O3 — CID 11598301

IUPAC3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C30H37N3O3/c1-30(29(35)31-26-10-6-3-7-11-26)21-27(32-36-30)24-12-14-25(15-13-24)28(34)33-18-16-23(17-19-33)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,23,26H,3,6-7,10-11,16-21H2,1H3,(H,31,35)
InChIKeyMKOHTBPZZGAKAT-UHFFFAOYSA-N
MW487.64 g/mol
LogP5.11
Rot. Bonds6

About 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide

3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 11598301) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID11598301
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Name3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C30H37N3O3/c1-30(29(35)31-26-10-6-3-7-11-26)21-27(32-36-30)24-12-14-25(15-13-24)28(34)33-18-16-23(17-19-33)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,23,26H,3,6-7,10-11,16-21H2,1H3,(H,31,35)
InChIKeyMKOHTBPZZGAKAT-UHFFFAOYSA-N
XLogP5.11
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 11596612
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11669808
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 143180178
(4-benzylpiperidin-1-yl)-[4-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methanone
CID 11691660
N-benzyl-3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-ethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11670897
3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11511250
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847507
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164898776
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 11598301) is 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)NC2CCCCC2)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1.
What is the InChIKey of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is MKOHTBPZZGAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-30(29(35)31-26-10-6-3-7-11-26)21-27(32-36-30)24-12-14-25(15-13-24)28(34)33-18-16-23(17-19-33)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,23,26H,3,6-7,10-11,16-21H2,1H3,(H,31,35).
What are the key properties of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 487.64 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11598301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).