2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide

C27H30N4O5 — CID 46360787

IUPAC2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(OC)c(OC)c4)CC3)c2)c1
InChIInChI=1S/C27H30N4O5/c1-34-22-6-4-5-20(16-22)29-27(33)19-9-12-28-25(15-19)31-13-10-18(11-14-31)26(32)30-21-7-8-23(35-2)24(17-21)36-3/h4-9,12,15-18H,10-11,13-14H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyULCJDRHTDSOBTF-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.21
Rot. Bonds8

About 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide

2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 46360787) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
PubChem CID46360787
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(OC)c(OC)c4)CC3)c2)c1
InChIInChI=1S/C27H30N4O5/c1-34-22-6-4-5-20(16-22)29-27(33)19-9-12-28-25(15-19)31-13-10-18(11-14-31)26(32)30-21-7-8-23(35-2)24(17-21)36-3/h4-9,12,15-18H,10-11,13-14H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyULCJDRHTDSOBTF-UHFFFAOYSA-N
XLogP4.21
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360796
2-[4-(cyclopentylcarbamoyl)piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 20867008
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360662
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875982
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
N-(2-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360832

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide (CID 46360787) is 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide is COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(OC)c(OC)c4)CC3)c2)c1.
What is the InChIKey of 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is ULCJDRHTDSOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-34-22-6-4-5-20(16-22)29-27(33)19-9-12-28-25(15-19)31-13-10-18(11-14-31)26(32)30-21-7-8-23(35-2)24(17-21)36-3/h4-9,12,15-18H,10-11,13-14H2,1-3H3,(H,29,33)(H,30,32).
What are the key properties of 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 46360787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).