(3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide

C17H23N3O3 — CID 95150425

IUPAC(3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C
InChIInChI=1S/C17H23N3O3/c1-11-7-8-13(17(18)23)9-20(11)10-16(22)19-15-6-4-3-5-14(15)12(2)21/h3-6,11,13H,7-10H2,1-2H3,(H2,18,23)(H,19,22)/t11-,13+/m1/s1
InChIKeyRWZPBXIXAUTSJH-YPMHNXCESA-N
MW317.39 g/mol
LogP1.41
Rot. Bonds5

About (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide

(3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide (PubChem CID 95150425) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
PubChem CID95150425
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C
InChIInChI=1S/C17H23N3O3/c1-11-7-8-13(17(18)23)9-20(11)10-16(22)19-15-6-4-3-5-14(15)12(2)21/h3-6,11,13H,7-10H2,1-2H3,(H2,18,23)(H,19,22)/t11-,13+/m1/s1
InChIKeyRWZPBXIXAUTSJH-YPMHNXCESA-N
XLogP1.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide
CID 95336199
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031856
ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
CID 8583347
(3R,6R)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95151655
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
6-methyl-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxamide
CID 56825445
N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 39920728
(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 51725831
N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43106577

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide (CID 95150425) is (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide is CC(=O)c1ccccc1NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C.
What is the InChIKey of (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is RWZPBXIXAUTSJH-YPMHNXCESA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-7-8-13(17(18)23)9-20(11)10-16(22)19-15-6-4-3-5-14(15)12(2)21/h3-6,11,13H,7-10H2,1-2H3,(H2,18,23)(H,19,22)/t11-,13+/m1/s1.
What are the key properties of (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide?
(3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95150425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).