3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride

C18H31Cl2N3O — CID 119952808

IUPAC3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CCN(CCCNC(=O)CC(N)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-15-8-12-21(13-9-15)11-5-10-20-18(22)14-17(19)16-6-3-2-4-7-16;;/h2-4,6-7,15,17H,5,8-14,19H2,1H3,(H,20,22);2*1H
InChIKeyVUVQZIJONWXNBH-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.16
Rot. Bonds7

About 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride

3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119952808) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119952808
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CCN(CCCNC(=O)CC(N)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-15-8-12-21(13-9-15)11-5-10-20-18(22)14-17(19)16-6-3-2-4-7-16;;/h2-4,6-7,15,17H,5,8-14,19H2,1H3,(H,20,22);2*1H
InChIKeyVUVQZIJONWXNBH-UHFFFAOYSA-N
XLogP3.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
CID 33481434
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
CID 119953269
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride (CID 119952808) is 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride is CC1CCN(CCCNC(=O)CC(N)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is VUVQZIJONWXNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-15-8-12-21(13-9-15)11-5-10-20-18(22)14-17(19)16-6-3-2-4-7-16;;/h2-4,6-7,15,17H,5,8-14,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119952808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).