N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide

C29H36N2O3 — CID 68880889

IUPACN-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1C[C@H](C(=O)c2ccccc2)C(C2CCCCC2)[C@@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C29H36N2O3/c1-21(32)30-17-18-31-19-25(28(33)23-13-7-3-8-14-23)27(22-11-5-2-6-12-22)26(20-31)29(34)24-15-9-4-10-16-24/h3-4,7-10,13-16,22,25-27H,2,5-6,11-12,17-20H2,1H3,(H,30,32)/t25-,26-/m0/s1
InChIKeyFVFHKZXPXNIMFB-UIOOFZCWSA-N
MW460.62 g/mol
LogP4.63
Rot. Bonds8

About N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide

N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide (PubChem CID 68880889) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide
PubChem CID68880889
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC NameN-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1C[C@H](C(=O)c2ccccc2)C(C2CCCCC2)[C@@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C29H36N2O3/c1-21(32)30-17-18-31-19-25(28(33)23-13-7-3-8-14-23)27(22-11-5-2-6-12-22)26(20-31)29(34)24-15-9-4-10-16-24/h3-4,7-10,13-16,22,25-27H,2,5-6,11-12,17-20H2,1H3,(H,30,32)/t25-,26-/m0/s1
InChIKeyFVFHKZXPXNIMFB-UIOOFZCWSA-N
XLogP4.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
CID 106672120
methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate
CID 16725625
[(1S,2S,3R)-2-cyclohexyl-3-methylcyclopropyl]-phenylmethanone
CID 131860529
[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 90821158
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]acetamide
CID 126999485
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999658
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid
CID 68879746
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
[(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone
CID 10242955

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide (CID 68880889) is N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide is CC(=O)NCCN1C[C@H](C(=O)c2ccccc2)C(C2CCCCC2)[C@@H](C(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide?
The InChIKey is FVFHKZXPXNIMFB-UIOOFZCWSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-21(32)30-17-18-31-19-25(28(33)23-13-7-3-8-14-23)27(22-11-5-2-6-12-22)26(20-31)29(34)24-15-9-4-10-16-24/h3-4,7-10,13-16,22,25-27H,2,5-6,11-12,17-20H2,1H3,(H,30,32)/t25-,26-/m0/s1.
What are the key properties of N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide?
N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide has a molecular weight of 460.62 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5R)-3,5-dibenzoyl-4-cyclohexylpiperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 68880889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).