N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide

C19H29N3O — CID 119929795

IUPACN-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C19H29N3O/c23-19(21-14-16-4-2-1-3-5-16)18-8-12-22(13-9-18)15-17-6-10-20-11-7-17/h1-5,17-18,20H,6-15H2,(H,21,23)
InChIKeyBOWUXLHXYBWLDV-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.01
Rot. Bonds5

About N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide

N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 119929795) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID119929795
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C19H29N3O/c23-19(21-14-16-4-2-1-3-5-16)18-8-12-22(13-9-18)15-17-6-10-20-11-7-17/h1-5,17-18,20H,6-15H2,(H,21,23)
InChIKeyBOWUXLHXYBWLDV-UHFFFAOYSA-N
XLogP2.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpiperidine-4-carboxamide
CID 3868064
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120897745
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide (CID 119929795) is N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(CC2CCNCC2)CC1.
What is the InChIKey of N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BOWUXLHXYBWLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(21-14-16-4-2-1-3-5-16)18-8-12-22(13-9-18)15-17-6-10-20-11-7-17/h1-5,17-18,20H,6-15H2,(H,21,23).
What are the key properties of N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119929795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).