N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

C22H32N2O2 — CID 113005452

IUPACN-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C22H32N2O2/c1-17-7-6-8-18(15-17)16-21(25)24-13-11-19(12-14-24)22(26)23-20-9-4-2-3-5-10-20/h6-8,15,19-20H,2-5,9-14,16H2,1H3,(H,23,26)
InChIKeyUAATUJGDZAMVBI-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.62
Rot. Bonds4

About N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113005452) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID113005452
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C22H32N2O2/c1-17-7-6-8-18(15-17)16-21(25)24-13-11-19(12-14-24)22(26)23-20-9-4-2-3-5-10-20/h6-8,15,19-20H,2-5,9-14,16H2,1H3,(H,23,26)
InChIKeyUAATUJGDZAMVBI-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45233968
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006994
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003393
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (CID 113005452) is N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide is Cc1cccc(CC(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c1.
What is the InChIKey of N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is UAATUJGDZAMVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17-7-6-8-18(15-17)16-21(25)24-13-11-19(12-14-24)22(26)23-20-9-4-2-3-5-10-20/h6-8,15,19-20H,2-5,9-14,16H2,1H3,(H,23,26).
What are the key properties of N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113005452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).