N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide

C15H20N2O3 — CID 95324961

IUPACN-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)N[C@H]1CCC(=O)NC1
InChIInChI=1S/C15H20N2O3/c1-10(2)20-13-6-4-3-5-12(13)15(19)17-11-7-8-14(18)16-9-11/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t11-/m0/s1
InChIKeyNVWHWRNDKOQYCM-NSHDSACASA-N
MW276.34 g/mol
LogP1.48
Rot. Bonds4

About N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide

N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide (PubChem CID 95324961) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide
PubChem CID95324961
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)N[C@H]1CCC(=O)NC1
InChIInChI=1S/C15H20N2O3/c1-10(2)20-13-6-4-3-5-12(13)15(19)17-11-7-8-14(18)16-9-11/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t11-/m0/s1
InChIKeyNVWHWRNDKOQYCM-NSHDSACASA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62898689
N-(6-oxopiperidin-3-yl)naphthalene-1-carboxamide
CID 62491603
2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340
2-hydroxy-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63373409
2-oxo-N-(6-oxopiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 60616083
5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55245873
N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 62492174
2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 96522501
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
CID 62491246
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide (CID 95324961) is N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)N[C@H]1CCC(=O)NC1.
What is the InChIKey of N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide?
The InChIKey is NVWHWRNDKOQYCM-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)20-13-6-4-3-5-12(13)15(19)17-11-7-8-14(18)16-9-11/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide?
N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide has a molecular weight of 276.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 95324961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).