3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one

C18H24N4O — CID 119888376

IUPAC3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1c1cn[nH]c1)C(N)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-13(17(19)14-7-3-2-4-8-14)18(23)22-10-6-5-9-16(22)15-11-20-21-12-15/h2-4,7-8,11-13,16-17H,5-6,9-10,19H2,1H3,(H,20,21)
InChIKeyHKYHFYMRDFVMCV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.80
Rot. Bonds4

About 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one

3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 119888376) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
PubChem CID119888376
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1c1cn[nH]c1)C(N)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-13(17(19)14-7-3-2-4-8-14)18(23)22-10-6-5-9-16(22)15-11-20-21-12-15/h2-4,7-8,11-13,16-17H,5-6,9-10,19H2,1H3,(H,20,21)
InChIKeyHKYHFYMRDFVMCV-UHFFFAOYSA-N
XLogP2.80
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride
CID 119685223
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
3-amino-1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119800961
3-(2-aminophenyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 120613233
3-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573372
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 80549892
4-amino-3-methoxy-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120597000
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one (CID 119888376) is 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCCC1c1cn[nH]c1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HKYHFYMRDFVMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(17(19)14-7-3-2-4-8-14)18(23)22-10-6-5-9-16(22)15-11-20-21-12-15/h2-4,7-8,11-13,16-17H,5-6,9-10,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one?
3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119888376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).