N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide

C21H30FN3O2 — CID 110352147

IUPACN-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide
SMILESCC(CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H30FN3O2/c1-16(17-7-9-18(22)10-8-17)15-20(26)24-11-13-25(14-12-24)21(27)23-19-5-3-2-4-6-19/h7-10,16,19H,2-6,11-15H2,1H3,(H,23,27)
InChIKeyPCFSKJSRQJAFLX-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.51
Rot. Bonds4

About N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide

N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide (PubChem CID 110352147) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide
PubChem CID110352147
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide
SMILESCC(CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H30FN3O2/c1-16(17-7-9-18(22)10-8-17)15-20(26)24-11-13-25(14-12-24)21(27)23-19-5-3-2-4-6-19/h7-10,16,19H,2-6,11-15H2,1H3,(H,23,27)
InChIKeyPCFSKJSRQJAFLX-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[4-[3-(4-fluorophenyl)butanoyl]piperazin-1-yl]-2-oxoacetamide
CID 55923503
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55919453
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 23371543
2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
CID 119178715
1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one
CID 110352133
3-[4-[3-(4-fluorophenyl)butanoyl]piperazin-1-yl]butanoic acid
CID 138038194
N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
CID 119727435
(3R)-3-(4-fluorophenyl)-1-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347286
(3R)-3-(4-fluorophenyl)-1-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347284
1-[4-(bromomethylsulfonyl)piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 75447544

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide (CID 110352147) is N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide is CC(CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide?
The InChIKey is PCFSKJSRQJAFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-16(17-7-9-18(22)10-8-17)15-20(26)24-11-13-25(14-12-24)21(27)23-19-5-3-2-4-6-19/h7-10,16,19H,2-6,11-15H2,1H3,(H,23,27).
What are the key properties of N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 110352147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).