2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one

C15H26N4O — CID 115990294

IUPAC2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one
SMILESCCc1nn(C)cc1CC(CN)C(=O)N1CCCCC1
InChIInChI=1S/C15H26N4O/c1-3-14-13(11-18(2)17-14)9-12(10-16)15(20)19-7-5-4-6-8-19/h11-12H,3-10,16H2,1-2H3
InChIKeyOEROFXHEHVSCCA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.11
Rot. Bonds5

About 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one

2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 115990294) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID115990294
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one
SMILESCCc1nn(C)cc1CC(CN)C(=O)N1CCCCC1
InChIInChI=1S/C15H26N4O/c1-3-14-13(11-18(2)17-14)9-12(10-16)15(20)19-7-5-4-6-8-19/h11-12H,3-10,16H2,1-2H3
InChIKeyOEROFXHEHVSCCA-UHFFFAOYSA-N
XLogP1.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 19469143
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide
CID 42958321
2-[1-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 53511115
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-(1-methyl-2-piperidinyl)propanamide
CID 72867210
4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 75356274
rac-(4R,5S)-4-amino-5-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 79583778
rac-(3R,4S)-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124679564
1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99778581
(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
CID 172908503
rel-(4aS,8aR)-1-(3-aminopropyl)-6-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]octahydro-1,6-naphthyridin-2(1H)-one dihydrochloride
CID 56902545
N-cyclopentyl-3-(1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 72105637

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one (CID 115990294) is 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one is CCc1nn(C)cc1CC(CN)C(=O)N1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is OEROFXHEHVSCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-14-13(11-18(2)17-14)9-12(10-16)15(20)19-7-5-4-6-8-19/h11-12H,3-10,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one?
2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115990294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).