N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide

C20H24FN5O — CID 109249582

IUPACN-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C20H24FN5O/c21-17-7-3-4-8-18(17)25-9-11-26(12-10-25)20-22-13-15(14-23-20)19(27)24-16-5-1-2-6-16/h3-4,7-8,13-14,16H,1-2,5-6,9-12H2,(H,24,27)
InChIKeyDFELRKPAFQKFMI-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.61
Rot. Bonds4

About N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide

N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 109249582) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID109249582
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC NameN-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C20H24FN5O/c21-17-7-3-4-8-18(17)25-9-11-26(12-10-25)20-22-13-15(14-23-20)19(27)24-16-5-1-2-6-16/h3-4,7-8,13-14,16H,1-2,5-6,9-12H2,(H,24,27)
InChIKeyDFELRKPAFQKFMI-UHFFFAOYSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide
CID 109262108
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109342025
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109262111
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
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide (CID 109249582) is N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide is O=C(NC1CCCC1)c1cnc(N2CCN(c3ccccc3F)CC2)nc1.
What is the InChIKey of N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is DFELRKPAFQKFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-17-7-3-4-8-18(17)25-9-11-26(12-10-25)20-22-13-15(14-23-20)19(27)24-16-5-1-2-6-16/h3-4,7-8,13-14,16H,1-2,5-6,9-12H2,(H,24,27).
What are the key properties of N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.61, 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-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109249582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).