(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide

C21H29N3O3 — CID 52523476

IUPAC(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C21H29N3O3/c1-2-19(25)24-12-6-9-17(15-24)20(26)22-18-10-13-23(14-11-18)21(27)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyPXZZZMOWXDNQOI-QGZVFWFLSA-N
MW371.48 g/mol
LogP2.06
Rot. Bonds4

About (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide

(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 52523476) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
PubChem CID52523476
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C21H29N3O3/c1-2-19(25)24-12-6-9-17(15-24)20(26)22-18-10-13-23(14-11-18)21(27)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyPXZZZMOWXDNQOI-QGZVFWFLSA-N
XLogP2.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
1-benzoyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110000883

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide (CID 52523476) is (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1.
What is the InChIKey of (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is PXZZZMOWXDNQOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-2-19(25)24-12-6-9-17(15-24)20(26)22-18-10-13-23(14-11-18)21(27)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide?
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 52523476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).