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

C16H24N4O — CID 3468284

IUPACN-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C16H24N4O/c1-12-8-9-17-16(18-12)20-10-4-5-13(11-20)15(21)19-14-6-2-3-7-14/h8-9,13-14H,2-7,10-11H2,1H3,(H,19,21)
InChIKeySNQPGXDKEOMAOR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds3

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

N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3468284) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3468284
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C16H24N4O/c1-12-8-9-17-16(18-12)20-10-4-5-13(11-20)15(21)19-14-6-2-3-7-14/h8-9,13-14H,2-7,10-11H2,1H3,(H,19,21)
InChIKeySNQPGXDKEOMAOR-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3468284) is N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)NC3CCCC3)C2)n1.
What is the InChIKey of N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is SNQPGXDKEOMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-8-9-17-16(18-12)20-10-4-5-13(11-20)15(21)19-14-6-2-3-7-14/h8-9,13-14H,2-7,10-11H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3468284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).