1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide

C18H27N3O2 — CID 120947149

IUPAC1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC1CNCC1O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H27N3O2/c22-17-12-19-10-15(17)11-20-18(23)16-8-4-5-9-21(16)13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19,22H,4-5,8-13H2,(H,20,23)
InChIKeyKUYCNBSRBWXTEG-UHFFFAOYSA-N
MW317.43 g/mol
LogP0.74
Rot. Bonds5

About 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide

1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 120947149) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
PubChem CID120947149
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC1CNCC1O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H27N3O2/c22-17-12-19-10-15(17)11-20-18(23)16-8-4-5-9-21(16)13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19,22H,4-5,8-13H2,(H,20,23)
InChIKeyKUYCNBSRBWXTEG-UHFFFAOYSA-N
XLogP0.74
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 124758816
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide (CID 120947149) is 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide is O=C(NCC1CNCC1O)C1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is KUYCNBSRBWXTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17-12-19-10-15(17)11-20-18(23)16-8-4-5-9-21(16)13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19,22H,4-5,8-13H2,(H,20,23).
What are the key properties of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide?
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 120947149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).