1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile

C14H17N5O — CID 78994794

IUPAC1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(c3ncccn3)CC2)CCC1
InChIInChI=1S/C14H17N5O/c15-11-14(3-1-4-14)12(20)18-7-9-19(10-8-18)13-16-5-2-6-17-13/h2,5-6H,1,3-4,7-10H2
InChIKeyNTXGXFNYMIFGCX-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.82
Rot. Bonds2

About 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile

1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 78994794) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID78994794
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(c3ncccn3)CC2)CCC1
InChIInChI=1S/C14H17N5O/c15-11-14(3-1-4-14)12(20)18-7-9-19(10-8-18)13-16-5-2-6-17-13/h2,5-6H,1,3-4,7-10H2
InChIKeyNTXGXFNYMIFGCX-UHFFFAOYSA-N
XLogP0.82
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80599657
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 71683394
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 51246196
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
N-(2-cyanophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979029
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 41138717
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile (CID 78994794) is 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCN(c3ncccn3)CC2)CCC1.
What is the InChIKey of 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is NTXGXFNYMIFGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-11-14(3-1-4-14)12(20)18-7-9-19(10-8-18)13-16-5-2-6-17-13/h2,5-6H,1,3-4,7-10H2.
What are the key properties of 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile?
1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 78994794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).