1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide

C21H31N3O4 — CID 647386

IUPAC1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)cc1OC
InChIInChI=1S/C21H31N3O4/c1-27-18-11-10-17(13-19(18)28-2)22-20(25)15-7-6-12-24(14-15)21(26)23-16-8-4-3-5-9-16/h10-11,13,15-16H,3-9,12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyORKRMAWNKCQGSG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.40
Rot. Bonds5

About 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide

1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 647386) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID647386
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)cc1OC
InChIInChI=1S/C21H31N3O4/c1-27-18-11-10-17(13-19(18)28-2)22-20(25)15-7-6-12-24(14-15)21(26)23-16-8-4-3-5-9-16/h10-11,13,15-16H,3-9,12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyORKRMAWNKCQGSG-UHFFFAOYSA-N
XLogP3.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-4-methylpentanamide
CID 4005106
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4591414
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787569
1-(1,3-Benzodioxol-5-yl)-3-(1-benzylpiperidin-4-yl)urea
CID 2211100
1-[2-(1-Cyclohexylmethyl-piperidin-4-yl)-ethyl]-3-(3,4-dimethoxy-phenyl)-thiourea
CID 10454784
1-(3,4-Methylenedioxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783005
(S)-1-(4-methoxy-3-((4-methylpentyl)oxy)phenyl)-3-(1-phenylethyl)urea
CID 57384050
1-[4-methoxy-3-(3-methylbutoxy)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 71459464
1-[1-(Oxane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118409070
1-[3,4-bis(trifluoromethoxy)phenyl]-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea
CID 118409142
4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide
CID 162673377
N-(3,4-dimethoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 970036

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide (CID 647386) is 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide is COc1ccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)cc1OC.
What is the InChIKey of 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is ORKRMAWNKCQGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-27-18-11-10-17(13-19(18)28-2)22-20(25)15-7-6-12-24(14-15)21(26)23-16-8-4-3-5-9-16/h10-11,13,15-16H,3-9,12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide?
1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-N-(3,4-dimethoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 647386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).