N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide

C18H28N6O — CID 23652954

IUPACN-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(N2CCN(C3CCCC3)CC2)ncn1)N1CCCC1
InChIInChI=1S/C18H28N6O/c25-18(24-7-3-4-8-24)21-16-13-17(20-14-19-16)23-11-9-22(10-12-23)15-5-1-2-6-15/h13-15H,1-12H2,(H,19,20,21,25)
InChIKeyHFLFUMZNCVTSDM-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.17
Rot. Bonds3

About N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide

N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 23652954) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID23652954
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(N2CCN(C3CCCC3)CC2)ncn1)N1CCCC1
InChIInChI=1S/C18H28N6O/c25-18(24-7-3-4-8-24)21-16-13-17(20-14-19-16)23-11-9-22(10-12-23)15-5-1-2-6-15/h13-15H,1-12H2,(H,19,20,21,25)
InChIKeyHFLFUMZNCVTSDM-UHFFFAOYSA-N
XLogP2.17
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide
CID 23653033
1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652956
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543700
1-(4-cyclohexylpiperazin-1-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propan-1-one
CID 53174511
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]hydrazine
CID 80929365
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517
1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652749
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 21054875

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide (CID 23652954) is N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide is O=C(Nc1cc(N2CCN(C3CCCC3)CC2)ncn1)N1CCCC1.
What is the InChIKey of N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is HFLFUMZNCVTSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c25-18(24-7-3-4-8-24)21-16-13-17(20-14-19-16)23-11-9-22(10-12-23)15-5-1-2-6-15/h13-15H,1-12H2,(H,19,20,21,25).
What are the key properties of N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 23652954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).