(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide

C20H24ClN3O3 — CID 96542823

IUPAC(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide
SMILESCOc1cc(N[C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)cc(OC)c1
InChIInChI=1S/C20H24ClN3O3/c1-26-16-10-15(11-17(12-16)27-2)22-14-6-5-9-24(13-14)20(25)23-19-8-4-3-7-18(19)21/h3-4,7-8,10-12,14,22H,5-6,9,13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyATOCLTAJKXIISK-CQSZACIVSA-N
MW389.88 g/mol
LogP4.47
Rot. Bonds5

About (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide

(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide (PubChem CID 96542823) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide
PubChem CID96542823
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide
SMILESCOc1cc(N[C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)cc(OC)c1
InChIInChI=1S/C20H24ClN3O3/c1-26-16-10-15(11-17(12-16)27-2)22-14-6-5-9-24(13-14)20(25)23-19-8-4-3-7-18(19)21/h3-4,7-8,10-12,14,22H,5-6,9,13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyATOCLTAJKXIISK-CQSZACIVSA-N
XLogP4.47
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 71849001
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
CID 100908584
(2-chloro-4-nitrophenyl)-[(3S)-3-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
CID 96999797
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
CID 45245331
[(3S)-3-(3,5-dimethoxyanilino)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124568909
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
3-amino-1-[3-(3,5-dimethoxyanilino)piperidin-1-yl]butan-1-one
CID 120873076
3-[3-(3,5-dimethoxyanilino)piperidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 71848941

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide (CID 96542823) is (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide is COc1cc(N[C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)cc(OC)c1.
What is the InChIKey of (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide?
The InChIKey is ATOCLTAJKXIISK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-26-16-10-15(11-17(12-16)27-2)22-14-6-5-9-24(13-14)20(25)23-19-8-4-3-7-18(19)21/h3-4,7-8,10-12,14,22H,5-6,9,13H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide?
(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide is sourced from PubChem (CID 96542823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).