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

C18H29N3O — CID 119842319

IUPAC3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(N(C)C(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)21-11-9-16(10-12-21)20(3)18(22)17(13-19)15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,19H2,1-3H3
InChIKeyCSEBPTNMJRAZGI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.06
Rot. Bonds5

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

3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 119842319) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID119842319
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(N(C)C(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)21-11-9-16(10-12-21)20(3)18(22)17(13-19)15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,19H2,1-3H3
InChIKeyCSEBPTNMJRAZGI-UHFFFAOYSA-N
XLogP2.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride
CID 119883047
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide
CID 62877491
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 134047108
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842368
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878882
2,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103497623

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 119842319) is 3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide is CC(C)N1CCC(N(C)C(=O)C(CN)c2ccccc2)CC1.
What is the InChIKey of 3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is CSEBPTNMJRAZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)21-11-9-16(10-12-21)20(3)18(22)17(13-19)15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,19H2,1-3H3.
What are the key properties of 3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 303.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 119842319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).