4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide

C17H23N5O — CID 157152679

IUPAC4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2ncnc3c2C=CC3)CC1
InChIInChI=1S/C17H23N5O/c23-17(20-13-4-1-2-5-13)22-10-8-21(9-11-22)16-14-6-3-7-15(14)18-12-19-16/h3,6,12-13H,1-2,4-5,7-11H2,(H,20,23)
InChIKeyALLAGSCGMMTDEZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.82
Rot. Bonds2

About 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide

4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 157152679) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide
PubChem CID157152679
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2ncnc3c2C=CC3)CC1
InChIInChI=1S/C17H23N5O/c23-17(20-13-4-1-2-5-13)22-10-8-21(9-11-22)16-14-6-3-7-15(14)18-12-19-16/h3,6,12-13H,1-2,4-5,7-11H2,(H,20,23)
InChIKeyALLAGSCGMMTDEZ-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 35757393
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 1462046
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
CID 3299993
N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
CID 155952713

Frequently Asked Questions

What is the IUPAC name of 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide (CID 157152679) is 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(c2ncnc3c2C=CC3)CC1.
What is the InChIKey of 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is ALLAGSCGMMTDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(20-13-4-1-2-5-13)22-10-8-21(9-11-22)16-14-6-3-7-15(14)18-12-19-16/h3,6,12-13H,1-2,4-5,7-11H2,(H,20,23).
What are the key properties of 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide?
4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 157152679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).