[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone

C15H22N4O — CID 107000234

IUPAC[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C15H22N4O/c1-15(2)9-12(15)14(20)19-7-5-18(6-8-19)11-3-4-13(16)17-10-11/h3-4,10,12H,5-9H2,1-2H3,(H2,16,17)
InChIKeyQRMYCQATMSDCOA-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.36
Rot. Bonds2

About [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107000234) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
PubChem CID107000234
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C15H22N4O/c1-15(2)9-12(15)14(20)19-7-5-18(6-8-19)11-3-4-13(16)17-10-11/h3-4,10,12H,5-9H2,1-2H3,(H2,16,17)
InChIKeyQRMYCQATMSDCOA-UHFFFAOYSA-N
XLogP1.36
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81456152
[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000236
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
CID 142371873
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
CID 107937396
2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 142371904
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (CID 107000234) is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)N1CCN(c2ccc(N)nc2)CC1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is QRMYCQATMSDCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2)9-12(15)14(20)19-7-5-18(6-8-19)11-3-4-13(16)17-10-11/h3-4,10,12H,5-9H2,1-2H3,(H2,16,17).
What are the key properties of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 274.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107000234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).