N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide

C18H19ClFN3O — CID 110418645

IUPACN-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1c1ccc(F)cc1
InChIInChI=1S/C18H19ClFN3O/c1-22-9-10-23(12-17(22)13-5-7-15(20)8-6-13)18(24)21-16-4-2-3-14(19)11-16/h2-8,11,17H,9-10,12H2,1H3,(H,21,24)
InChIKeyQGGXQBPMBRODRQ-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.00
Rot. Bonds2

About N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide

N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 110418645) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
PubChem CID110418645
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC NameN-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1c1ccc(F)cc1
InChIInChI=1S/C18H19ClFN3O/c1-22-9-10-23(12-17(22)13-5-7-15(20)8-6-13)18(24)21-16-4-2-3-14(19)11-16/h2-8,11,17H,9-10,12H2,1H3,(H,21,24)
InChIKeyQGGXQBPMBRODRQ-UHFFFAOYSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293180
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide
CID 23794104
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
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1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110617335
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
(3S)-1-N-(3-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087875
N-(3-chlorophenyl)-4-(1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813582

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide (CID 110418645) is N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1c1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is QGGXQBPMBRODRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c1-22-9-10-23(12-17(22)13-5-7-15(20)8-6-13)18(24)21-16-4-2-3-14(19)11-16/h2-8,11,17H,9-10,12H2,1H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 110418645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).