4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C27H34N4O5 — CID 55638882

IUPAC4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C27H34N4O5/c1-35-23-17-21(26(33)30-13-7-4-8-14-30)22(18-24(23)36-2)29-25(32)19-11-15-31(16-12-19)27(34)28-20-9-5-3-6-10-20/h3,5-6,9-10,17-19H,4,7-8,11-16H2,1-2H3,(H,28,34)(H,29,32)
InChIKeyMARYLJKTSPRMHW-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.21
Rot. Bonds6

About 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 55638882) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID55638882
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC Name4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C27H34N4O5/c1-35-23-17-21(26(33)30-13-7-4-8-14-30)22(18-24(23)36-2)29-25(32)19-11-15-31(16-12-19)27(34)28-20-9-5-3-6-10-20/h3,5-6,9-10,17-19H,4,7-8,11-16H2,1-2H3,(H,28,34)(H,29,32)
InChIKeyMARYLJKTSPRMHW-UHFFFAOYSA-N
XLogP4.21
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55639706
tert-butyl 3-[[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55639950
1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 26462498
4-(2-methoxy-5-methylbenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813373
3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
N-[4,5-dimethoxy-2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 42907623
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333

Frequently Asked Questions

What is the IUPAC name of 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 55638882) is 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide is COc1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c(C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is MARYLJKTSPRMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-35-23-17-21(26(33)30-13-7-4-8-14-30)22(18-24(23)36-2)29-25(32)19-11-15-31(16-12-19)27(34)28-20-9-5-3-6-10-20/h3,5-6,9-10,17-19H,4,7-8,11-16H2,1-2H3,(H,28,34)(H,29,32).
What are the key properties of 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 494.59 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55638882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).