1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide

C29H39N3O4 — CID 55906830

IUPAC1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)Nc2ccc(CCN3CCOCC3)cc2)C1c1ccccc1OC
InChIInChI=1S/C29H39N3O4/c1-3-4-16-32-27(33)14-13-25(28(32)24-7-5-6-8-26(24)35-2)29(34)30-23-11-9-22(10-12-23)15-17-31-18-20-36-21-19-31/h5-12,25,28H,3-4,13-21H2,1-2H3,(H,30,34)
InChIKeyQYVRZZQFENEYHR-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.29
Rot. Bonds10

About 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide

1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 55906830) has the molecular formula C29H39N3O4 and a molecular weight of 493.65 g/mol. Its IUPAC name is 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide
PubChem CID55906830
Molecular FormulaC29H39N3O4
Molecular Weight493.65 g/mol
Exact Mass493.29
IUPAC Name1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)Nc2ccc(CCN3CCOCC3)cc2)C1c1ccccc1OC
InChIInChI=1S/C29H39N3O4/c1-3-4-16-32-27(33)14-13-25(28(32)24-7-5-6-8-26(24)35-2)29(34)30-23-11-9-22(10-12-23)15-17-31-18-20-36-21-19-31/h5-12,25,28H,3-4,13-21H2,1-2H3,(H,30,34)
InChIKeyQYVRZZQFENEYHR-UHFFFAOYSA-N
XLogP4.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide (CID 55906830) is 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)Nc2ccc(CCN3CCOCC3)cc2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QYVRZZQFENEYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4/c1-3-4-16-32-27(33)14-13-25(28(32)24-7-5-6-8-26(24)35-2)29(34)30-23-11-9-22(10-12-23)15-17-31-18-20-36-21-19-31/h5-12,25,28H,3-4,13-21H2,1-2H3,(H,30,34).
What are the key properties of 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide?
1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 55906830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).