2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one

C15H23N3O — CID 87038067

IUPAC2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(C)c2cccnc2)CC1
InChIInChI=1S/C15H23N3O/c1-12(2)15(19)18-9-7-17(8-10-18)13(3)14-5-4-6-16-11-14/h4-6,11-13H,7-10H2,1-3H3
InChIKeyADOAJKRPEDGVNB-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.94
Rot. Bonds3

About 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 87038067) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID87038067
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(C)c2cccnc2)CC1
InChIInChI=1S/C15H23N3O/c1-12(2)15(19)18-9-7-17(8-10-18)13(3)14-5-4-6-16-11-14/h4-6,11-13H,7-10H2,1-3H3
InChIKeyADOAJKRPEDGVNB-UHFFFAOYSA-N
XLogP1.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
(2S)-2-(1-benzofuran-2-yl)-1-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99818316
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824
(1-aminocyclohexyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903354
4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
CID 56790884
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
CID 95628023
[4-(1-pyridin-3-ylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081611
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one (CID 87038067) is 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(C(C)c2cccnc2)CC1.
What is the InChIKey of 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is ADOAJKRPEDGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)15(19)18-9-7-17(8-10-18)13(3)14-5-4-6-16-11-14/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 87038067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).