1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C22H32N2O4 — CID 45185889

IUPAC1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(=O)N(C3CCCCCC3)C2)c(OC)c1
InChIInChI=1S/C22H32N2O4/c1-27-19-11-9-16(20(13-19)28-2)14-23-22(26)17-10-12-21(25)24(15-17)18-7-5-3-4-6-8-18/h9,11,13,17-18H,3-8,10,12,14-15H2,1-2H3,(H,23,26)
InChIKeyURXZXTWBRWKCCT-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.28
Rot. Bonds6

About 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45185889) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID45185889
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(=O)N(C3CCCCCC3)C2)c(OC)c1
InChIInChI=1S/C22H32N2O4/c1-27-19-11-9-16(20(13-19)28-2)14-23-22(26)17-10-12-21(25)24(15-17)18-7-5-3-4-6-8-18/h9,11,13,17-18H,3-8,10,12,14-15H2,1-2H3,(H,23,26)
InChIKeyURXZXTWBRWKCCT-UHFFFAOYSA-N
XLogP3.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2,4-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42287376
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42454269
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24816652
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
(3S)-1-cycloheptyl-N-(2-methoxy-2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 42286966
N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 45229982

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 45185889) is 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCC(=O)N(C3CCCCCC3)C2)c(OC)c1.
What is the InChIKey of 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is URXZXTWBRWKCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-27-19-11-9-16(20(13-19)28-2)14-23-22(26)17-10-12-21(25)24(15-17)18-7-5-3-4-6-8-18/h9,11,13,17-18H,3-8,10,12,14-15H2,1-2H3,(H,23,26).
What are the key properties of 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45185889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).