N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide

C25H32N4O2 — CID 42240976

IUPACN-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)c3ccccn3)CC2)CC1
InChIInChI=1S/C25H32N4O2/c30-24(27-15-9-20-6-2-1-3-7-20)21-10-16-28(17-11-21)22-12-18-29(19-13-22)25(31)23-8-4-5-14-26-23/h1-8,14,21-22H,9-13,15-19H2,(H,27,30)
InChIKeyYNZYUCLGFPKHEN-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.76
Rot. Bonds6

About N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide

N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42240976) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42240976
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)c3ccccn3)CC2)CC1
InChIInChI=1S/C25H32N4O2/c30-24(27-15-9-20-6-2-1-3-7-20)21-10-16-28(17-11-21)22-12-18-29(19-13-22)25(31)23-8-4-5-14-26-23/h1-8,14,21-22H,9-13,15-19H2,(H,27,30)
InChIKeyYNZYUCLGFPKHEN-UHFFFAOYSA-N
XLogP2.76
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25456452
N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693509
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
1-[1-(2-chloro-4-nitrobenzoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881321
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42240976) is N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)c3ccccn3)CC2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is YNZYUCLGFPKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(27-15-9-20-6-2-1-3-7-20)21-10-16-28(17-11-21)22-12-18-29(19-13-22)25(31)23-8-4-5-14-26-23/h1-8,14,21-22H,9-13,15-19H2,(H,27,30).
What are the key properties of N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42240976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).