N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide

C27H33N3O4 — CID 93198046

IUPACN-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C27H33N3O4/c1-34-23-12-8-11-22(19-23)25(31)28-24(27(33)29-15-6-3-7-16-29)20-13-17-30(18-14-20)26(32)21-9-4-2-5-10-21/h2,4-5,8-12,19-20,24H,3,6-7,13-18H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyRLPUUXZGFSGRJZ-DEOSSOPVSA-N
MW463.58 g/mol
LogP3.36
Rot. Bonds6

About N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide

N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide (PubChem CID 93198046) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
PubChem CID93198046
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C27H33N3O4/c1-34-23-12-8-11-22(19-23)25(31)28-24(27(33)29-15-6-3-7-16-29)20-13-17-30(18-14-20)26(32)21-9-4-2-5-10-21/h2,4-5,8-12,19-20,24H,3,6-7,13-18H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyRLPUUXZGFSGRJZ-DEOSSOPVSA-N
XLogP3.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198040
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232
4-[(1R)-1-[(3-methoxybenzoyl)amino]-2-oxo-2-pyrrolidin-1-ylethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200337
N-[1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
CID 46020740
3-methoxy-N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198371
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199477
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93199115
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
4-methoxy-N-[(1R)-2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 93197351
N-[(1R)-1-[1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-3-methoxybenzamide
CID 93200441
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 46020372
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide (CID 93198046) is N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide?
The InChIKey is RLPUUXZGFSGRJZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-34-23-12-8-11-22(19-23)25(31)28-24(27(33)29-15-6-3-7-16-29)20-13-17-30(18-14-20)26(32)21-9-4-2-5-10-21/h2,4-5,8-12,19-20,24H,3,6-7,13-18H2,1H3,(H,28,31)/t24-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide?
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide has a molecular weight of 463.58 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide is sourced from PubChem (CID 93198046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).