3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide

C17H27N3O — CID 43711347

IUPAC3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)20-10-8-15(9-11-20)19-17(21)12-16(18)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3,(H,19,21)
InChIKeyGZVQIWLROLIPLJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.07
Rot. Bonds5

About 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide

3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 43711347) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID43711347
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)20-10-8-15(9-11-20)19-17(21)12-16(18)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3,(H,19,21)
InChIKeyGZVQIWLROLIPLJ-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119953381
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119953980
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
CID 79401824
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 43711347) is 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide is CC(C)N1CCC(NC(=O)CC(N)c2ccccc2)CC1.
What is the InChIKey of 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is GZVQIWLROLIPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)20-10-8-15(9-11-20)19-17(21)12-16(18)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 43711347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).