(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide

C19H27N3O2 — CID 97007462

IUPAC(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccccc1[C@@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)C1CC1
InChIInChI=1S/C19H27N3O2/c1-13-5-2-3-7-16(13)18(15-8-9-15)21-19(24)22-10-4-6-14(12-22)11-17(20)23/h2-3,5,7,14-15,18H,4,6,8-12H2,1H3,(H2,20,23)(H,21,24)/t14-,18+/m1/s1
InChIKeyDZVICWHURBFMRK-KDOFPFPSSA-N
MW329.44 g/mol
LogP2.74
Rot. Bonds5

About (3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide

(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 97007462) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID97007462
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccccc1[C@@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)C1CC1
InChIInChI=1S/C19H27N3O2/c1-13-5-2-3-7-16(13)18(15-8-9-15)21-19(24)22-10-4-6-14(12-22)11-17(20)23/h2-3,5,7,14-15,18H,4,6,8-12H2,1H3,(H2,20,23)(H,21,24)/t14-,18+/m1/s1
InChIKeyDZVICWHURBFMRK-KDOFPFPSSA-N
XLogP2.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-oxoethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 71865685
3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 75423837
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
CID 95573097
(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide
CID 97025766
(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 96522618
2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride
CID 119811969
2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122001953
(3R)-3-(2-amino-2-oxoethyl)-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 99715459
(3R)-3-(2-amino-2-oxoethyl)-N-(2,5-dichloro-4-methylphenyl)piperidine-1-carboxamide
CID 99581180
(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 97025955
2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide (CID 97007462) is (3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide is Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)C1CC1.
What is the InChIKey of (3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is DZVICWHURBFMRK-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-5-2-3-7-16(13)18(15-8-9-15)21-19(24)22-10-4-6-14(12-22)11-17(20)23/h2-3,5,7,14-15,18H,4,6,8-12H2,1H3,(H2,20,23)(H,21,24)/t14-,18+/m1/s1.
What are the key properties of (3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide?
(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.74, 5 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-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97007462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).