1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide

C22H28ClN5O — CID 55933195

IUPAC1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H28ClN5O/c23-19-6-4-18(5-7-19)22(8-1-2-9-22)20(29)24-12-13-27-14-16-28(17-15-27)21-25-10-3-11-26-21/h3-7,10-11H,1-2,8-9,12-17H2,(H,24,29)
InChIKeyNSRPBZISYINJOI-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 55933195) has the molecular formula C22H28ClN5O and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID55933195
Molecular FormulaC22H28ClN5O
Molecular Weight413.95 g/mol
Exact Mass413.20
IUPAC Name1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H28ClN5O/c23-19-6-4-18(5-7-19)22(8-1-2-9-22)20(29)24-12-13-27-14-16-28(17-15-27)21-25-10-3-11-26-21/h3-7,10-11H,1-2,8-9,12-17H2,(H,24,29)
InChIKeyNSRPBZISYINJOI-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 55992757
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 29195577
1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122351982
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide
CID 86985105
1-phenyl-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
CID 119448297
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111131197
N-but-3-ynyl-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 90537906
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide;dihydrochloride
CID 18995777
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642237
1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 51122742
1-(2,3-dihydro-1H-inden-5-yl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 51118566

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide (CID 55933195) is 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide is O=C(NCCN1CCN(c2ncccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is NSRPBZISYINJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O/c23-19-6-4-18(5-7-19)22(8-1-2-9-22)20(29)24-12-13-27-14-16-28(17-15-27)21-25-10-3-11-26-21/h3-7,10-11H,1-2,8-9,12-17H2,(H,24,29).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55933195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).