N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H30N2O3 — CID 24793002

IUPACN-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NC3CCCCCC3)CCC2=O)c1
InChIInChI=1S/C21H30N2O3/c1-26-19-10-6-7-16(13-19)14-23-15-17(11-12-20(23)24)21(25)22-18-8-4-2-3-5-9-18/h6-7,10,13,17-18H,2-5,8-9,11-12,14-15H2,1H3,(H,22,25)
InChIKeyACDMWYSBZREHIM-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.27
Rot. Bonds5

About N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24793002) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24793002
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NC3CCCCCC3)CCC2=O)c1
InChIInChI=1S/C21H30N2O3/c1-26-19-10-6-7-16(13-19)14-23-15-17(11-12-20(23)24)21(25)22-18-8-4-2-3-5-9-18/h6-7,10,13,17-18H,2-5,8-9,11-12,14-15H2,1H3,(H,22,25)
InChIKeyACDMWYSBZREHIM-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24793002) is N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)NC3CCCCCC3)CCC2=O)c1.
What is the InChIKey of N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ACDMWYSBZREHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-26-19-10-6-7-16(13-19)14-23-15-17(11-12-20(23)24)21(25)22-18-8-4-2-3-5-9-18/h6-7,10,13,17-18H,2-5,8-9,11-12,14-15H2,1H3,(H,22,25).
What are the key properties of N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).