(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide

C22H26Cl2N2O3 — CID 100778330

IUPAC(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(OC)c1CNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C22H26Cl2N2O3/c1-28-20-9-4-10-21(29-2)16(20)12-25-22(27)15-6-5-11-26(13-15)14-17-18(23)7-3-8-19(17)24/h3-4,7-10,15H,5-6,11-14H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyJVKDMEDEHACUAK-HNNXBMFYSA-N
MW437.37 g/mol
LogP4.54
Rot. Bonds7

About (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide

(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 100778330) has the molecular formula C22H26Cl2N2O3 and a molecular weight of 437.37 g/mol. Its IUPAC name is (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID100778330
Molecular FormulaC22H26Cl2N2O3
Molecular Weight437.37 g/mol
Exact Mass436.13
IUPAC Name(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(OC)c1CNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C22H26Cl2N2O3/c1-28-20-9-4-10-21(29-2)16(20)12-25-22(27)15-6-5-11-26(13-15)14-17-18(23)7-3-8-19(17)24/h3-4,7-10,15H,5-6,11-14H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyJVKDMEDEHACUAK-HNNXBMFYSA-N
XLogP4.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[(4-chlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100777606
1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 43918890
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 93490793
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
CID 43925734
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917458
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 93492205

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 100778330) is (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide is COc1cccc(OC)c1CNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JVKDMEDEHACUAK-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3/c1-28-20-9-4-10-21(29-2)16(20)12-25-22(27)15-6-5-11-26(13-15)14-17-18(23)7-3-8-19(17)24/h3-4,7-10,15H,5-6,11-14H2,1-2H3,(H,25,27)/t15-/m0/s1.
What are the key properties of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 437.37 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 100778330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).