(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

C19H29N3O2 — CID 94378645

IUPAC(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-3-8-14(2)21-19(24)16-11-7-12-22(13-16)17(18(20)23)15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3,(H2,20,23)(H,21,24)/t14-,16+,17-/m0/s1
InChIKeyDGJCXGJSNIBCMW-UAGQMJEPSA-N
MW331.46 g/mol
LogP2.23
Rot. Bonds7

About (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 94378645) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID94378645
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-3-8-14(2)21-19(24)16-11-7-12-22(13-16)17(18(20)23)15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3,(H2,20,23)(H,21,24)/t14-,16+,17-/m0/s1
InChIKeyDGJCXGJSNIBCMW-UAGQMJEPSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 56815640
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444435
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036
(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
CID 94446876
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (CID 94378645) is (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1.
What is the InChIKey of (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is DGJCXGJSNIBCMW-UAGQMJEPSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-8-14(2)21-19(24)16-11-7-12-22(13-16)17(18(20)23)15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3,(H2,20,23)(H,21,24)/t14-,16+,17-/m0/s1.
What are the key properties of (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94378645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).