1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide

C19H27ClN2O3 — CID 72903243

IUPAC1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(CCC(C)(C)O)C(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O3/c1-19(2,25)10-11-21(3)18(24)15-6-9-17(23)22(13-15)12-14-4-7-16(20)8-5-14/h4-5,7-8,15,25H,6,9-13H2,1-3H3
InChIKeyMDRMJCQTSBMMMK-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.70
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 72903243) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID72903243
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(CCC(C)(C)O)C(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O3/c1-19(2,25)10-11-21(3)18(24)15-6-9-17(23)22(13-15)12-14-4-7-16(20)8-5-14/h4-5,7-8,15,25H,6,9-13H2,1-3H3
InChIKeyMDRMJCQTSBMMMK-UHFFFAOYSA-N
XLogP2.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 72903243) is 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide is CN(CCC(C)(C)O)C(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is MDRMJCQTSBMMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-19(2,25)10-11-21(3)18(24)15-6-9-17(23)22(13-15)12-14-4-7-16(20)8-5-14/h4-5,7-8,15,25H,6,9-13H2,1-3H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72903243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).