N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide

C16H24N4O — CID 110254123

IUPACN-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCCN(c2ncccn2)C1
InChIInChI=1S/C16H24N4O/c1-16(14(21)19-13-6-2-3-7-13)8-4-11-20(12-16)15-17-9-5-10-18-15/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H,19,21)
InChIKeyLJVCQQOONRIBKA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.14
Rot. Bonds3

About N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 110254123) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID110254123
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCCN(c2ncccn2)C1
InChIInChI=1S/C16H24N4O/c1-16(14(21)19-13-6-2-3-7-13)8-4-11-20(12-16)15-17-9-5-10-18-15/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H,19,21)
InChIKeyLJVCQQOONRIBKA-UHFFFAOYSA-N
XLogP2.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.14
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-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 110254123) is N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide is CC1(C(=O)NC2CCCC2)CCCN(c2ncccn2)C1.
What is the InChIKey of N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is LJVCQQOONRIBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(14(21)19-13-6-2-3-7-13)8-4-11-20(12-16)15-17-9-5-10-18-15/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.14, 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-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110254123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).