(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide

C29H37N3O3 — CID 102220745

IUPAC(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)[C@H]1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C29H37N3O3/c33-27(17-15-23-9-3-1-4-10-23)31-19-7-13-25(21-31)29(35)30-26-14-8-20-32(22-26)28(34)18-16-24-11-5-2-6-12-24/h1-6,9-12,25-26H,7-8,13-22H2,(H,30,35)/t25-,26+/m0/s1
InChIKeyVCEKTGCQIZFVRT-IZZNHLLZSA-N
MW475.63 g/mol
LogP3.60
Rot. Bonds8

About (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide

(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide (PubChem CID 102220745) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
PubChem CID102220745
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC Name(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)[C@H]1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C29H37N3O3/c33-27(17-15-23-9-3-1-4-10-23)31-19-7-13-25(21-31)29(35)30-26-14-8-20-32(22-26)28(34)18-16-24-11-5-2-6-12-24/h1-6,9-12,25-26H,7-8,13-22H2,(H,30,35)/t25-,26+/m0/s1
InChIKeyVCEKTGCQIZFVRT-IZZNHLLZSA-N
XLogP3.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
(3S)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 93013795
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967018
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[4-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119487743
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide (CID 102220745) is (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide is O=C(N[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)[C@H]1CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide?
The InChIKey is VCEKTGCQIZFVRT-IZZNHLLZSA-N. The full InChI is InChI=1S/C29H37N3O3/c33-27(17-15-23-9-3-1-4-10-23)31-19-7-13-25(21-31)29(35)30-26-14-8-20-32(22-26)28(34)18-16-24-11-5-2-6-12-24/h1-6,9-12,25-26H,7-8,13-22H2,(H,30,35)/t25-,26+/m0/s1.
What are the key properties of (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide?
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide has a molecular weight of 475.63 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 102220745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).