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

C22H27ClN2O2 — CID 94023565

IUPAC(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C22H27ClN2O2/c1-2-27-21-12-6-4-8-17(21)14-24-22(26)19-10-7-13-25(16-19)15-18-9-3-5-11-20(18)23/h3-6,8-9,11-12,19H,2,7,10,13-16H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyCTYMRIQNGDGGKM-LJQANCHMSA-N
MW386.92 g/mol
LogP4.27
Rot. Bonds7

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

(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 94023565) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is (3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID94023565
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C22H27ClN2O2/c1-2-27-21-12-6-4-8-17(21)14-24-22(26)19-10-7-13-25(16-19)15-18-9-3-5-11-20(18)23/h3-6,8-9,11-12,19H,2,7,10,13-16H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyCTYMRIQNGDGGKM-LJQANCHMSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760
(3R)-1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023181
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43933081
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94023964
(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 94822300
N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693
(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide (CID 94023565) is (3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide is CCOc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CTYMRIQNGDGGKM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-2-27-21-12-6-4-8-17(21)14-24-22(26)19-10-7-13-25(16-19)15-18-9-3-5-11-20(18)23/h3-6,8-9,11-12,19H,2,7,10,13-16H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 386.92 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94023565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).