(3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide

C20H28N2O3 — CID 96559977

IUPAC(3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
SMILESCOC[C@@](C)(NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1
InChIInChI=1S/C20H28N2O3/c1-20(14-25-2,17-8-4-3-5-9-17)21-18(23)16-7-6-12-22(13-16)19(24)15-10-11-15/h3-5,8-9,15-16H,6-7,10-14H2,1-2H3,(H,21,23)/t16-,20+/m0/s1
InChIKeyXWPDACAZLPSXEP-OXJNMPFZSA-N
MW344.45 g/mol
LogP2.31
Rot. Bonds6

About (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide

(3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide (PubChem CID 96559977) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
PubChem CID96559977
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
SMILESCOC[C@@](C)(NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1
InChIInChI=1S/C20H28N2O3/c1-20(14-25-2,17-8-4-3-5-9-17)21-18(23)16-7-6-12-22(13-16)19(24)15-10-11-15/h3-5,8-9,15-16H,6-7,10-14H2,1-2H3,(H,21,23)/t16-,20+/m0/s1
InChIKeyXWPDACAZLPSXEP-OXJNMPFZSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-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

(3R)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
CID 96559975
3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 56523677
1-(cyclopropanecarbonyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 43500690
N-(1-bromo-2-phenylpropan-2-yl)cycloheptanecarboxamide
CID 105060197
1-benzoyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110000883
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
2-(4-chlorophenyl)-2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 120977777
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
CID 105059845
2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119202118
(3S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769503
(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769502
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-3-carboxamide
CID 111482746

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide (CID 96559977) is (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide is COC[C@@](C)(NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1.
What is the InChIKey of (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide?
The InChIKey is XWPDACAZLPSXEP-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-20(14-25-2,17-8-4-3-5-9-17)21-18(23)16-7-6-12-22(13-16)19(24)15-10-11-15/h3-5,8-9,15-16H,6-7,10-14H2,1-2H3,(H,21,23)/t16-,20+/m0/s1.
What are the key properties of (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide?
(3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96559977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).