N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide

C17H25N3O — CID 71192982

IUPACN-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C17H25N3O/c21-17(18-14-15-6-2-1-3-7-15)20-12-8-16(9-13-20)19-10-4-5-11-19/h1-3,6-7,16H,4-5,8-14H2,(H,18,21)
InChIKeyKNSWSSUCSKUUBF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.46
Rot. Bonds3

About N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide

N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 71192982) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID71192982
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C17H25N3O/c21-17(18-14-15-6-2-1-3-7-15)20-12-8-16(9-13-20)19-10-4-5-11-19/h1-3,6-7,16H,4-5,8-14H2,(H,18,21)
InChIKeyKNSWSSUCSKUUBF-UHFFFAOYSA-N
XLogP2.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-4-(oxolan-3-yl)-1,4-diazepane-1-carboxamide
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N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
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2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
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N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 24664554
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide
CID 56814231
4-[[(3-pyrrolidin-1-ylazepane-1-carbonyl)amino]methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 71192982) is N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is KNSWSSUCSKUUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(18-14-15-6-2-1-3-7-15)20-12-8-16(9-13-20)19-10-4-5-11-19/h1-3,6-7,16H,4-5,8-14H2,(H,18,21).
What are the key properties of N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71192982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).