(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide

C20H30N2O3 — CID 94822300

IUPAC(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1
InChIInChI=1S/C20H30N2O3/c1-4-15(3)20(24)22-12-8-10-17(14-22)19(23)21-13-16-9-6-7-11-18(16)25-5-2/h6-7,9,11,15,17H,4-5,8,10,12-14H2,1-3H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyNZOVMSDELZILSX-DOTOQJQBSA-N
MW346.47 g/mol
LogP2.99
Rot. Bonds7

About (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide

(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide (PubChem CID 94822300) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
PubChem CID94822300
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1
InChIInChI=1S/C20H30N2O3/c1-4-15(3)20(24)22-12-8-10-17(14-22)19(23)21-13-16-9-6-7-11-18(16)25-5-2/h6-7,9,11,15,17H,4-5,8,10,12-14H2,1-3H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyNZOVMSDELZILSX-DOTOQJQBSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60618232
(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 51937811
3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74240152
N-[(2-ethoxyphenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085786
2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115591500
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
N-[(2-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71830326
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 100880125
N-[(2-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide
CID 20912267

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide (CID 94822300) is (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide is CCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1.
What is the InChIKey of (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide?
The InChIKey is NZOVMSDELZILSX-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-15(3)20(24)22-12-8-10-17(14-22)19(23)21-13-16-9-6-7-11-18(16)25-5-2/h6-7,9,11,15,17H,4-5,8,10,12-14H2,1-3H3,(H,21,23)/t15-,17+/m0/s1.
What are the key properties of (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide?
(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 94822300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).