3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride

C18H28ClN3O2 — CID 119758309

IUPAC3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride
SMILESCC(C(=O)N1CCCC(CCC(N)=O)C1)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-13(17(20)15-7-3-2-4-8-15)18(23)21-11-5-6-14(12-21)9-10-16(19)22;/h2-4,7-8,13-14,17H,5-6,9-12,20H2,1H3,(H2,19,22);1H
InChIKeyAVJWJAMUUGJNCS-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.25
Rot. Bonds6

About 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride

3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride (PubChem CID 119758309) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride
PubChem CID119758309
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride
SMILESCC(C(=O)N1CCCC(CCC(N)=O)C1)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-13(17(20)15-7-3-2-4-8-15)18(23)21-11-5-6-14(12-21)9-10-16(19)22;/h2-4,7-8,13-14,17H,5-6,9-12,20H2,1H3,(H2,19,22);1H
InChIKeyAVJWJAMUUGJNCS-UHFFFAOYSA-N
XLogP2.25
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
3-amino-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 122080186
3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119867570
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761640
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761567
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
3-amino-1-(3-benzylpyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119725030
3-amino-1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119880836
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
CID 95573097
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119859689
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride?
The IUPAC name of 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride (CID 119758309) is 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride is CC(C(=O)N1CCCC(CCC(N)=O)C1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride?
The InChIKey is AVJWJAMUUGJNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-13(17(20)15-7-3-2-4-8-15)18(23)21-11-5-6-14(12-21)9-10-16(19)22;/h2-4,7-8,13-14,17H,5-6,9-12,20H2,1H3,(H2,19,22);1H.
What are the key properties of 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride?
3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 119758309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).