(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

C18H25N3O3 — CID 129489061

IUPAC(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCC([C@@H](O)C(=O)NC2CC2)CC1
InChIInChI=1S/C18H25N3O3/c19-17(23)15(12-4-2-1-3-5-12)21-10-8-13(9-11-21)16(22)18(24)20-14-6-7-14/h1-5,13-16,22H,6-11H2,(H2,19,23)(H,20,24)/t15-,16-/m1/s1
InChIKeyFTUXWBGRJHDAHG-HZPDHXFCSA-N
MW331.42 g/mol
LogP0.56
Rot. Bonds6

About (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (PubChem CID 129489061) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
PubChem CID129489061
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCC([C@@H](O)C(=O)NC2CC2)CC1
InChIInChI=1S/C18H25N3O3/c19-17(23)15(12-4-2-1-3-5-12)21-10-8-13(9-11-21)16(22)18(24)20-14-6-7-14/h1-5,13-16,22H,6-11H2,(H2,19,23)(H,20,24)/t15-,16-/m1/s1
InChIKeyFTUXWBGRJHDAHG-HZPDHXFCSA-N
XLogP0.56
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide with MolForge

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Related Compounds

1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
CID 9046776
N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide
CID 95584264
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
(2S)-N-cyclopropyl-2-phenyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95298740
N-carbamoyl-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 46643095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The IUPAC name of (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (CID 129489061) is (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.
What is the SMILES notation for (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The canonical SMILES for (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is NC(=O)[C@@H](c1ccccc1)N1CCC([C@@H](O)C(=O)NC2CC2)CC1.
What is the InChIKey of (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The InChIKey is FTUXWBGRJHDAHG-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-17(23)15(12-4-2-1-3-5-12)21-10-8-13(9-11-21)16(22)18(24)20-14-6-7-14/h1-5,13-16,22H,6-11H2,(H2,19,23)(H,20,24)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide has a molecular weight of 331.42 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is sourced from PubChem (CID 129489061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).