N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride

C21H33ClFN3O — CID 70476311

IUPACN-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1)N1CCNCC1CCCCc1ccc(F)cc1
InChIInChI=1S/C21H32FN3O.ClH/c22-18-12-10-17(11-13-18)6-4-5-9-20-16-23-14-15-25(20)21(26)24-19-7-2-1-3-8-19;/h10-13,19-20,23H,1-9,14-16H2,(H,24,26);1H
InChIKeyDPPOJFPIPBOPMR-UHFFFAOYSA-N
MW397.97 g/mol
LogP4.28
Rot. Bonds6

About N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride

N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 70476311) has the molecular formula C21H33ClFN3O and a molecular weight of 397.97 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
PubChem CID70476311
Molecular FormulaC21H33ClFN3O
Molecular Weight397.97 g/mol
Exact Mass397.23
IUPAC NameN-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1)N1CCNCC1CCCCc1ccc(F)cc1
InChIInChI=1S/C21H32FN3O.ClH/c22-18-12-10-17(11-13-18)6-4-5-9-20-16-23-14-15-25(20)21(26)24-19-7-2-1-3-8-19;/h10-13,19-20,23H,1-9,14-16H2,(H,24,26);1H
InChIKeyDPPOJFPIPBOPMR-UHFFFAOYSA-N
XLogP4.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.97
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride (CID 70476311) is N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride is Cl.O=C(NC1CCCCC1)N1CCNCC1CCCCc1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is DPPOJFPIPBOPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O.ClH/c22-18-12-10-17(11-13-18)6-4-5-9-20-16-23-14-15-25(20)21(26)24-19-7-2-1-3-8-19;/h10-13,19-20,23H,1-9,14-16H2,(H,24,26);1H.
What are the key properties of N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride?
N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 397.97 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 70476311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).