N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide

C28H43N3O4 — CID 55862308

IUPACN-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CCC(=O)N(CCCC)C2c2ccccc2OC)CC1
InChIInChI=1S/C28H43N3O4/c1-5-7-17-29(3)27(33)21-15-19-30(20-16-21)28(34)23-13-14-25(32)31(18-8-6-2)26(23)22-11-9-10-12-24(22)35-4/h9-12,21,23,26H,5-8,13-20H2,1-4H3
InChIKeyCVDLXJRGGVKQSV-UHFFFAOYSA-N
MW485.67 g/mol
LogP4.27
Rot. Bonds10

About N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55862308) has the molecular formula C28H43N3O4 and a molecular weight of 485.67 g/mol. Its IUPAC name is N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
PubChem CID55862308
Molecular FormulaC28H43N3O4
Molecular Weight485.67 g/mol
Exact Mass485.33
IUPAC NameN-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CCC(=O)N(CCCC)C2c2ccccc2OC)CC1
InChIInChI=1S/C28H43N3O4/c1-5-7-17-29(3)27(33)21-15-19-30(20-16-21)28(34)23-13-14-25(32)31(18-8-6-2)26(23)22-11-9-10-12-24(22)35-4/h9-12,21,23,26H,5-8,13-20H2,1-4H3
InChIKeyCVDLXJRGGVKQSV-UHFFFAOYSA-N
XLogP4.27
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.67
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide (CID 55862308) is N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)C2CCC(=O)N(CCCC)C2c2ccccc2OC)CC1.
What is the InChIKey of N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CVDLXJRGGVKQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O4/c1-5-7-17-29(3)27(33)21-15-19-30(20-16-21)28(34)23-13-14-25(32)31(18-8-6-2)26(23)22-11-9-10-12-24(22)35-4/h9-12,21,23,26H,5-8,13-20H2,1-4H3.
What are the key properties of N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 485.67 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55862308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).