N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C17H26N4O — CID 3223371

IUPACN-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H26N4O/c22-16(20-12-14-6-2-1-3-7-14)15-8-4-11-21(13-15)17-18-9-5-10-19-17/h5,9-10,14-15H,1-4,6-8,11-13H2,(H,20,22)
InChIKeyWPXKMUXUALSQTC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.39
Rot. Bonds4

About N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3223371) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3223371
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H26N4O/c22-16(20-12-14-6-2-1-3-7-14)15-8-4-11-21(13-15)17-18-9-5-10-19-17/h5,9-10,14-15H,1-4,6-8,11-13H2,(H,20,22)
InChIKeyWPXKMUXUALSQTC-UHFFFAOYSA-N
XLogP2.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3223371) is N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCC1CCCCC1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is WPXKMUXUALSQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-16(20-12-14-6-2-1-3-7-14)15-8-4-11-21(13-15)17-18-9-5-10-19-17/h5,9-10,14-15H,1-4,6-8,11-13H2,(H,20,22).
What are the key properties of N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3223371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).