3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one

C16H21ClN2O2 — CID 115065021

IUPAC3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCCNC2)CN(Cc2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C16H21ClN2O2/c1-16(13-5-3-7-18-9-13)11-19(15(20)21-16)10-12-4-2-6-14(17)8-12/h2,4,6,8,13,18H,3,5,7,9-11H2,1H3
InChIKeySMPCHXYDALQCLI-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.05
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one

3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115065021) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115065021
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCCNC2)CN(Cc2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C16H21ClN2O2/c1-16(13-5-3-7-18-9-13)11-19(15(20)21-16)10-12-4-2-6-14(17)8-12/h2,4,6,8,13,18H,3,5,7,9-11H2,1H3
InChIKeySMPCHXYDALQCLI-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065024
3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065041
(5S)-3,5-dimethyl-5-[(3S)-piperidin-3-yl]-1,3-oxazolidin-2-one
CID 171842990
3-ethyl-5-methyl-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065098
1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007169
6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
CID 115068104
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 64838558
3-[(3-hydroxyphenyl)methyl]-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065022
2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid
CID 125009330
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060020
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one (CID 115065021) is 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one is CC1(C2CCCNC2)CN(Cc2cccc(Cl)c2)C(=O)O1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is SMPCHXYDALQCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-16(13-5-3-7-18-9-13)11-19(15(20)21-16)10-12-4-2-6-14(17)8-12/h2,4,6,8,13,18H,3,5,7,9-11H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one?
3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 308.81 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).