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

C15H22N4O — CID 107000236

IUPAC[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H22N4O/c1-15(2)10-11(15)14(20)19-8-6-18(7-9-19)13-12(16)4-3-5-17-13/h3-5,11H,6-10,16H2,1-2H3
InChIKeyUDWWSOAMIZUBIA-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.36
Rot. Bonds2

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

[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107000236) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
PubChem CID107000236
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H22N4O/c1-15(2)10-11(15)14(20)19-8-6-18(7-9-19)13-12(16)4-3-5-17-13/h3-5,11H,6-10,16H2,1-2H3
InChIKeyUDWWSOAMIZUBIA-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

1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43462094
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277
cis-(1R,3S)-3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065880
[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107355664
2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 63205864
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 62939060
2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 43462186
2-(3-ethyl-4-methylpiperazin-1-yl)pyridin-3-amine
CID 63610642
2-(3-ethyl-3-methylazetidin-1-yl)pyridin-3-amine
CID 131071383

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of [4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (CID 107000236) is [4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for [4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for [4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)N1CCN(c2ncccc2N)CC1.
What is the InChIKey of [4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is UDWWSOAMIZUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2)10-11(15)14(20)19-8-6-18(7-9-19)13-12(16)4-3-5-17-13/h3-5,11H,6-10,16H2,1-2H3.
What are the key properties of [4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
[4-(3-amino-2-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-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107000236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).