N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide

C20H27FN2O2 — CID 17019024

IUPACN-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H27FN2O2/c21-18-10-6-5-9-17(18)20(25)23-13-11-15(12-14-23)19(24)22-16-7-3-1-2-4-8-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,22,24)
InChIKeyOAVJHMAVWPBMJH-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.52
Rot. Bonds3

About N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide

N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 17019024) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID17019024
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H27FN2O2/c21-18-10-6-5-9-17(18)20(25)23-13-11-15(12-14-23)19(24)22-16-7-3-1-2-4-8-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,22,24)
InChIKeyOAVJHMAVWPBMJH-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639
1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 113003080
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 55710621
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511
N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 46390267

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide (CID 17019024) is N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is OAVJHMAVWPBMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-10-6-5-9-17(18)20(25)23-13-11-15(12-14-23)19(24)22-16-7-3-1-2-4-8-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,22,24).
What are the key properties of N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide?
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17019024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).