(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H21N5O — CID 60865819

IUPAC(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESNC1(C(=O)N2CCN(c3ncccn3)CC2)CCCC1
InChIInChI=1S/C14H21N5O/c15-14(4-1-2-5-14)12(20)18-8-10-19(11-9-18)13-16-6-3-7-17-13/h3,6-7H,1-2,4-5,8-11,15H2
InChIKeyXLPPAWDZKZJPJS-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.40
Rot. Bonds2

About (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 60865819) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID60865819
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESNC1(C(=O)N2CCN(c3ncccn3)CC2)CCCC1
InChIInChI=1S/C14H21N5O/c15-14(4-1-2-5-14)12(20)18-8-10-19(11-9-18)13-16-6-3-7-17-13/h3,6-7H,1-2,4-5,8-11,15H2
InChIKeyXLPPAWDZKZJPJS-UHFFFAOYSA-N
XLogP0.40
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325
2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 111331567
1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile
CID 78994794
1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80599657
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 41138717
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39058439
2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride
CID 119112261
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 60865819) is (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is NC1(C(=O)N2CCN(c3ncccn3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XLPPAWDZKZJPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c15-14(4-1-2-5-14)12(20)18-8-10-19(11-9-18)13-16-6-3-7-17-13/h3,6-7H,1-2,4-5,8-11,15H2.
What are the key properties of (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 275.36 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 60865819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).