1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide

C17H25N3O2 — CID 9134673

IUPAC1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
SMILESCCNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-18-16(21)13(2)20-11-9-14(10-12-20)17(22)19-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeyGTWUZDYRWIATKN-ZDUSSCGKSA-N
MW303.41 g/mol
LogP1.86
Rot. Bonds5

About 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide

1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 9134673) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID9134673
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
SMILESCCNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-18-16(21)13(2)20-11-9-14(10-12-20)17(22)19-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeyGTWUZDYRWIATKN-ZDUSSCGKSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide 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

1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
1-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094756
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 78817808
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
1-[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 26674864
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide (CID 9134673) is 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide is CCNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is GTWUZDYRWIATKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-18-16(21)13(2)20-11-9-14(10-12-20)17(22)19-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,18,21)(H,19,22)/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9134673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).