N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide

C26H31N5O — CID 174482678

IUPACN-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CC(c2ncc(-c3ccccn3)[nH]2)CCC1C1CCCC1
InChIInChI=1S/C26H31N5O/c32-26(29-16-19-8-2-1-3-9-19)31-18-21(13-14-24(31)20-10-4-5-11-20)25-28-17-23(30-25)22-12-6-7-15-27-22/h1-3,6-9,12,15,17,20-21,24H,4-5,10-11,13-14,16,18H2,(H,28,30)(H,29,32)
InChIKeyKFCGAPDNEYFXDL-UHFFFAOYSA-N
MW429.57 g/mol
LogP5.12
Rot. Bonds5

About N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide

N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 174482678) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID174482678
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CC(c2ncc(-c3ccccn3)[nH]2)CCC1C1CCCC1
InChIInChI=1S/C26H31N5O/c32-26(29-16-19-8-2-1-3-9-19)31-18-21(13-14-24(31)20-10-4-5-11-20)25-28-17-23(30-25)22-12-6-7-15-27-22/h1-3,6-9,12,15,17,20-21,24H,4-5,10-11,13-14,16,18H2,(H,28,30)(H,29,32)
InChIKeyKFCGAPDNEYFXDL-UHFFFAOYSA-N
XLogP5.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide (CID 174482678) is N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CC(c2ncc(-c3ccccn3)[nH]2)CCC1C1CCCC1.
What is the InChIKey of N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is KFCGAPDNEYFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c32-26(29-16-19-8-2-1-3-9-19)31-18-21(13-14-24(31)20-10-4-5-11-20)25-28-17-23(30-25)22-12-6-7-15-27-22/h1-3,6-9,12,15,17,20-21,24H,4-5,10-11,13-14,16,18H2,(H,28,30)(H,29,32).
What are the key properties of N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide?
N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopentyl-5-(5-pyridin-2-yl-1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 174482678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).