N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C17H26N4O — CID 3223379

IUPACN-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C17H26N4O/c1-13-9-10-18-17(19-13)21-11-5-6-14(12-21)16(22)20-15-7-3-2-4-8-15/h9-10,14-15H,2-8,11-12H2,1H3,(H,20,22)
InChIKeyXFIBJNSVRSKWRC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.45
Rot. Bonds3

About N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3223379) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3223379
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C17H26N4O/c1-13-9-10-18-17(19-13)21-11-5-6-14(12-21)16(22)20-15-7-3-2-4-8-15/h9-10,14-15H,2-8,11-12H2,1H3,(H,20,22)
InChIKeyXFIBJNSVRSKWRC-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3223379) is N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)NC3CCCCC3)C2)n1.
What is the InChIKey of N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is XFIBJNSVRSKWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-9-10-18-17(19-13)21-11-5-6-14(12-21)16(22)20-15-7-3-2-4-8-15/h9-10,14-15H,2-8,11-12H2,1H3,(H,20,22).
What are the key properties of N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3223379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).