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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Related Compounds

2-[4-(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride
CID 70476905
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510
1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide
CID 22958799
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride
CID 120740666
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 120740667
N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide
CID 70476993
(1S)-N-[(3R)-azepan-3-yl]-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 155397450
carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide
CID 22362372
N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110249120
N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057684

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).