(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide

C19H29N3O2 — CID 97025766

IUPAC(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide
SMILESCC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@H](CC(N)=O)C1
InChIInChI=1S/C19H29N3O2/c1-3-17(11-15-8-6-14(2)7-9-15)21-19(24)22-10-4-5-16(13-22)12-18(20)23/h6-9,16-17H,3-5,10-13H2,1-2H3,(H2,20,23)(H,21,24)/t16-,17+/m1/s1
InChIKeyNSZCOPZAPVTWGQ-SJORKVTESA-N
MW331.46 g/mol
LogP2.61
Rot. Bonds6

About (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide

(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide (PubChem CID 97025766) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide
PubChem CID97025766
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide
SMILESCC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@H](CC(N)=O)C1
InChIInChI=1S/C19H29N3O2/c1-3-17(11-15-8-6-14(2)7-9-15)21-19(24)22-10-4-5-16(13-22)12-18(20)23/h6-9,16-17H,3-5,10-13H2,1-2H3,(H2,20,23)(H,21,24)/t16-,17+/m1/s1
InChIKeyNSZCOPZAPVTWGQ-SJORKVTESA-N
XLogP2.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 75423837
(2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide
CID 97242012
(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 96522618
N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 91339550
(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 97007462
3-(2-amino-2-oxoethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 71865685
(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 97025955
3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 110882612
N-[(2S)-1-(4-methylphenyl)butan-2-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 96995556
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032
N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567688
N-[(2S)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567687

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide (CID 97025766) is (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide is CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@H](CC(N)=O)C1.
What is the InChIKey of (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide?
The InChIKey is NSZCOPZAPVTWGQ-SJORKVTESA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-17(11-15-8-6-14(2)7-9-15)21-19(24)22-10-4-5-16(13-22)12-18(20)23/h6-9,16-17H,3-5,10-13H2,1-2H3,(H2,20,23)(H,21,24)/t16-,17+/m1/s1.
What are the key properties of (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide?
(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97025766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).