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

C17H26N4O — CID 110269120

IUPACN-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nccc(N2CCCC(C)(C(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C17H26N4O/c1-13-18-10-8-15(19-13)21-11-5-9-17(2,12-21)16(22)20-14-6-3-4-7-14/h8,10,14H,3-7,9,11-12H2,1-2H3,(H,20,22)
InChIKeySWJKABQFRHKICD-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.45
Rot. Bonds3

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

N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 110269120) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID110269120
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nccc(N2CCCC(C)(C(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C17H26N4O/c1-13-18-10-8-15(19-13)21-11-5-9-17(2,12-21)16(22)20-14-6-3-4-7-14/h8,10,14H,3-7,9,11-12H2,1-2H3,(H,20,22)
InChIKeySWJKABQFRHKICD-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-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide (CID 110269120) is N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1nccc(N2CCCC(C)(C(=O)NC3CCCC3)C2)n1.
What is the InChIKey of N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is SWJKABQFRHKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-18-10-8-15(19-13)21-11-5-9-17(2,12-21)16(22)20-14-6-3-4-7-14/h8,10,14H,3-7,9,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide?
N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-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-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 110269120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).