6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide

C20H24ClN5O — CID 109341438

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(N2CCN(c3cccc(Cl)c3)CC2)ncn1
InChIInChI=1S/C20H24ClN5O/c21-15-4-3-7-17(12-15)25-8-10-26(11-9-25)19-13-18(22-14-23-19)20(27)24-16-5-1-2-6-16/h3-4,7,12-14,16H,1-2,5-6,8-11H2,(H,24,27)
InChIKeyCOOOEGFDLFYSFP-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.13
Rot. Bonds4

About 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide (PubChem CID 109341438) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
PubChem CID109341438
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(N2CCN(c3cccc(Cl)c3)CC2)ncn1
InChIInChI=1S/C20H24ClN5O/c21-15-4-3-7-17(12-15)25-8-10-26(11-9-25)19-13-18(22-14-23-19)20(27)24-16-5-1-2-6-16/h3-4,7,12-14,16H,1-2,5-6,8-11H2,(H,24,27)
InChIKeyCOOOEGFDLFYSFP-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338891
N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109342025
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342192
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
[4-(3-chlorophenyl)piperazin-1-yl]-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 91816383
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 112863132
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909400
N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372608
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide
CID 46037111

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide (CID 109341438) is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1cc(N2CCN(c3cccc(Cl)c3)CC2)ncn1.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide?
The InChIKey is COOOEGFDLFYSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-15-4-3-7-17(12-15)25-8-10-26(11-9-25)19-13-18(22-14-23-19)20(27)24-16-5-1-2-6-16/h3-4,7,12-14,16H,1-2,5-6,8-11H2,(H,24,27).
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide?
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109341438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).