N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide

C22H31FN2O2 — CID 55758241

IUPACN-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1)C1CCCCCC1
InChIInChI=1S/C22H31FN2O2/c1-24(20-8-4-2-3-5-9-20)22(27)18-7-6-14-25(16-18)21(26)15-17-10-12-19(23)13-11-17/h10-13,18,20H,2-9,14-16H2,1H3
InChIKeyMJDOTBKRPRHTOC-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.79
Rot. Bonds4

About N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide

N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide (PubChem CID 55758241) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
PubChem CID55758241
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC NameN-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1)C1CCCCCC1
InChIInChI=1S/C22H31FN2O2/c1-24(20-8-4-2-3-5-9-20)22(27)18-7-6-14-25(16-18)21(26)15-17-10-12-19(23)13-11-17/h10-13,18,20H,2-9,14-16H2,1H3
InChIKeyMJDOTBKRPRHTOC-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide
CID 95778086
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide
CID 95778085
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55761312
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide (CID 55758241) is N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is MJDOTBKRPRHTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c1-24(20-8-4-2-3-5-9-20)22(27)18-7-6-14-25(16-18)21(26)15-17-10-12-19(23)13-11-17/h10-13,18,20H,2-9,14-16H2,1H3.
What are the key properties of N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide?
N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 55758241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).