N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide

C21H30FN3O2 — CID 53057684

IUPACN-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)15-23-20(26)14-16-10-12-25(13-11-16)21(27)24-19-4-2-1-3-5-19/h6-9,16,19H,1-5,10-15H2,(H,23,26)(H,24,27)
InChIKeyFOCFNUADCJJAGZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.59
Rot. Bonds5

About N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 53057684) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID53057684
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)15-23-20(26)14-16-10-12-25(13-11-16)21(27)24-19-4-2-1-3-5-19/h6-9,16,19H,1-5,10-15H2,(H,23,26)(H,24,27)
InChIKeyFOCFNUADCJJAGZ-UHFFFAOYSA-N
XLogP3.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057667
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
N-cyclohexyl-4-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057680
N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057722
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
N-(1,1-dioxothiolan-3-yl)-4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 45207766
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
N-cyclohexyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 3223565
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide (CID 53057684) is N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide is O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is FOCFNUADCJJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)15-23-20(26)14-16-10-12-25(13-11-16)21(27)24-19-4-2-1-3-5-19/h6-9,16,19H,1-5,10-15H2,(H,23,26)(H,24,27).
What are the key properties of N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 53057684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).