(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide

C22H27N3O3 — CID 7435314

IUPAC(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-13-7-6-12-19(20)24-21(26)18-11-8-14-25(16-18)22(27)23-15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,23,27)(H,24,26)/t18-/m0/s1
InChIKeyFPMNVDXYTRVJLP-SFHVURJKSA-N
MW381.48 g/mol
LogP3.65
Rot. Bonds6

About (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide

(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 7435314) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID7435314
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-13-7-6-12-19(20)24-21(26)18-11-8-14-25(16-18)22(27)23-15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,23,27)(H,24,26)/t18-/m0/s1
InChIKeyFPMNVDXYTRVJLP-SFHVURJKSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
CID 55931737
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
N-(2-ethoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150085
(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51687287
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
(3R)-N-(2-ethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085848
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide (CID 7435314) is (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide is CCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is FPMNVDXYTRVJLP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-28-20-13-7-6-12-19(20)24-21(26)18-11-8-14-25(16-18)22(27)23-15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,23,27)(H,24,26)/t18-/m0/s1.
What are the key properties of (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide?
(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 7435314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).