(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide

C21H31N3O — CID 56854204

IUPAC(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccccc2)C1
InChIInChI=1S/C21H31N3O/c25-21(22-20-8-9-20)19-12-18(14-23-10-4-5-11-23)15-24(16-19)13-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2,(H,22,25)/t18-,19-/m1/s1
InChIKeyWCCXWCRQSMZGIB-RTBURBONSA-N
MW341.50 g/mol
LogP2.50
Rot. Bonds6

About (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide

(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 56854204) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
PubChem CID56854204
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccccc2)C1
InChIInChI=1S/C21H31N3O/c25-21(22-20-8-9-20)19-12-18(14-23-10-4-5-11-23)15-24(16-19)13-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2,(H,22,25)/t18-,19-/m1/s1
InChIKeyWCCXWCRQSMZGIB-RTBURBONSA-N
XLogP2.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56859153
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
(3R,5R)-N-(2-hydroxyethyl)-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
CID 56854386
1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-benzylazetidine;1-benzylazetidine-3-carboxylic acid
CID 161198562
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide (CID 56854204) is (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccccc2)C1.
What is the InChIKey of (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is WCCXWCRQSMZGIB-RTBURBONSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21(22-20-8-9-20)19-12-18(14-23-10-4-5-11-23)15-24(16-19)13-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2,(H,22,25)/t18-,19-/m1/s1.
What are the key properties of (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide?
(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56854204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).