N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide

C20H25N5O — CID 109249567

IUPACN-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C20H25N5O/c26-19(23-17-6-4-5-7-17)16-14-21-20(22-15-16)25-12-10-24(11-13-25)18-8-2-1-3-9-18/h1-3,8-9,14-15,17H,4-7,10-13H2,(H,23,26)
InChIKeyOQTCZSQOANEIBO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.48
Rot. Bonds4

About N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide

N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109249567) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109249567
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C20H25N5O/c26-19(23-17-6-4-5-7-17)16-14-21-20(22-15-16)25-12-10-24(11-13-25)18-8-2-1-3-9-18/h1-3,8-9,14-15,17H,4-7,10-13H2,(H,23,26)
InChIKeyOQTCZSQOANEIBO-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide
CID 109250307
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109182962

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109249567) is N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide is O=C(NC1CCCC1)c1cnc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is OQTCZSQOANEIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-19(23-17-6-4-5-7-17)16-14-21-20(22-15-16)25-12-10-24(11-13-25)18-8-2-1-3-9-18/h1-3,8-9,14-15,17H,4-7,10-13H2,(H,23,26).
What are the key properties of N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109249567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).