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

C15H24N4O — CID 110460967

IUPAC2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(c1ccncc1)N1CCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C15H24N4O/c1-12(13-4-6-17-7-5-13)18-8-10-19(11-9-18)14(20)15(2,3)16/h4-7,12H,8-11,16H2,1-3H3
InChIKeyUBRMRSPODJTKBS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.02
Rot. Bonds3

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

2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 110460967) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID110460967
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(c1ccncc1)N1CCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C15H24N4O/c1-12(13-4-6-17-7-5-13)18-8-10-19(11-9-18)14(20)15(2,3)16/h4-7,12H,8-11,16H2,1-3H3
InChIKeyUBRMRSPODJTKBS-UHFFFAOYSA-N
XLogP1.02
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110460739
1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110459300
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 110451998
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
(3-methylphenyl)-[4-[(1R)-1-pyridin-4-ylethyl]-1,4-diazepan-1-yl]methanone
CID 95621591
(4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone
CID 21306908
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate
CID 20754611
1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone
CID 155201573
5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine
CID 110454906
2-[1-(1-pyridin-4-ylethyl)azetidin-3-yl]propanoic acid
CID 116684728

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one (CID 110460967) is 2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one is CC(c1ccncc1)N1CCN(C(=O)C(C)(C)N)CC1.
What is the InChIKey of 2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is UBRMRSPODJTKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(13-4-6-17-7-5-13)18-8-10-19(11-9-18)14(20)15(2,3)16/h4-7,12H,8-11,16H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one?
2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110460967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).