1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride

C22H34ClN3O3 — CID 119514347

IUPAC1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCN1C(=O)CCC(C(=O)NCC2CCCN2)C1c1ccccc1OC.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-3-4-14-25-20(26)12-11-18(22(27)24-15-16-8-7-13-23-16)21(25)17-9-5-6-10-19(17)28-2;/h5-6,9-10,16,18,21,23H,3-4,7-8,11-15H2,1-2H3,(H,24,27);1H
InChIKeyRCNONZUIDBWHQG-UHFFFAOYSA-N
MW423.99 g/mol
LogP3.07
Rot. Bonds8

About 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride

1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119514347) has the molecular formula C22H34ClN3O3 and a molecular weight of 423.99 g/mol. Its IUPAC name is 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119514347
Molecular FormulaC22H34ClN3O3
Molecular Weight423.99 g/mol
Exact Mass423.23
IUPAC Name1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCN1C(=O)CCC(C(=O)NCC2CCCN2)C1c1ccccc1OC.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-3-4-14-25-20(26)12-11-18(22(27)24-15-16-8-7-13-23-16)21(25)17-9-5-6-10-19(17)28-2;/h5-6,9-10,16,18,21,23H,3-4,7-8,11-15H2,1-2H3,(H,24,27);1H
InChIKeyRCNONZUIDBWHQG-UHFFFAOYSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride (CID 119514347) is 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride is CCCCN1C(=O)CCC(C(=O)NCC2CCCN2)C1c1ccccc1OC.Cl.
What is the InChIKey of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is RCNONZUIDBWHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.ClH/c1-3-4-14-25-20(26)12-11-18(22(27)24-15-16-8-7-13-23-16)21(25)17-9-5-6-10-19(17)28-2;/h5-6,9-10,16,18,21,23H,3-4,7-8,11-15H2,1-2H3,(H,24,27);1H.
What are the key properties of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119514347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).