1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide

C22H31N5O — CID 56857606

IUPAC1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H31N5O/c28-22(25-15-21-23-10-11-24-21)19-7-4-12-27(17-19)20-8-13-26(14-9-20)16-18-5-2-1-3-6-18/h1-3,5-6,10-11,19-20H,4,7-9,12-17H2,(H,23,24)(H,25,28)
InChIKeyUUOXYCOUJGIXKU-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.40
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide

1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 56857606) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID56857606
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H31N5O/c28-22(25-15-21-23-10-11-24-21)19-7-4-12-27(17-19)20-8-13-26(14-9-20)16-18-5-2-1-3-6-18/h1-3,5-6,10-11,19-20H,4,7-9,12-17H2,(H,23,24)(H,25,28)
InChIKeyUUOXYCOUJGIXKU-UHFFFAOYSA-N
XLogP2.40
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590
1-(1-benzylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 45169933
N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45247244
(3R)-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580415
1-(1-benzylpiperidin-4-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 56861008
N-(pyridin-2-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873982
(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 95552488
(3S)-1-(1-benzylpiperidin-4-yl)-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95550117
(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 95555545
(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 95559160
N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70762061
(3R)-N-(2-pyridin-2-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96582429

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide (CID 56857606) is 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ncc[nH]1)C1CCCN(C2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UUOXYCOUJGIXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c28-22(25-15-21-23-10-11-24-21)19-7-4-12-27(17-19)20-8-13-26(14-9-20)16-18-5-2-1-3-6-18/h1-3,5-6,10-11,19-20H,4,7-9,12-17H2,(H,23,24)(H,25,28).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide?
1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56857606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).