2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide

C17H26N4O — CID 122318482

IUPAC2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESO=C(CC1CCCC1)NCc1nccc(N2CCCCC2)n1
InChIInChI=1S/C17H26N4O/c22-17(12-14-6-2-3-7-14)19-13-15-18-9-8-16(20-15)21-10-4-1-5-11-21/h8-9,14H,1-7,10-13H2,(H,19,22)
InChIKeyOKKUKZXPKIKNSS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.66
Rot. Bonds5

About 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide

2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide (PubChem CID 122318482) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
PubChem CID122318482
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESO=C(CC1CCCC1)NCc1nccc(N2CCCCC2)n1
InChIInChI=1S/C17H26N4O/c22-17(12-14-6-2-3-7-14)19-13-15-18-9-8-16(20-15)21-10-4-1-5-11-21/h8-9,14H,1-7,10-13H2,(H,19,22)
InChIKeyOKKUKZXPKIKNSS-UHFFFAOYSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
2,2-diphenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 91966645
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317423
N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
CID 142972253
5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122318528
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318529
6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318605
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide (CID 122318482) is 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide is O=C(CC1CCCC1)NCc1nccc(N2CCCCC2)n1.
What is the InChIKey of 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is OKKUKZXPKIKNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-17(12-14-6-2-3-7-14)19-13-15-18-9-8-16(20-15)21-10-4-1-5-11-21/h8-9,14H,1-7,10-13H2,(H,19,22).
What are the key properties of 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 122318482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).