N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide

C25H24FN3O2 — CID 46689860

IUPACN-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccccc2cc1C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C25H24FN3O2/c26-20-7-9-21(10-8-20)28-11-13-29(14-12-28)25(31)22-15-18-3-1-2-4-19(18)16-23(22)27-24(30)17-5-6-17/h1-4,7-10,15-17H,5-6,11-14H2,(H,27,30)
InChIKeyZGUOEEHQVFOURM-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.29
Rot. Bonds4

About N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide

N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide (PubChem CID 46689860) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
PubChem CID46689860
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccccc2cc1C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C25H24FN3O2/c26-20-7-9-21(10-8-20)28-11-13-29(14-12-28)25(31)22-15-18-3-1-2-4-19(18)16-23(22)27-24(30)17-5-6-17/h1-4,7-10,15-17H,5-6,11-14H2,(H,27,30)
InChIKeyZGUOEEHQVFOURM-UHFFFAOYSA-N
XLogP4.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 24663377
N-[3-(3-hydroxypiperidine-1-carbonyl)naphthalen-2-yl]cyclopropanecarboxamide
CID 110880058
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 87030057
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 55697273
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152
(1R,6R)-6-[[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6553014
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide (CID 46689860) is N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide is O=C(Nc1cc2ccccc2cc1C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide?
The InChIKey is ZGUOEEHQVFOURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-20-7-9-21(10-8-20)28-11-13-29(14-12-28)25(31)22-15-18-3-1-2-4-19(18)16-23(22)27-24(30)17-5-6-17/h1-4,7-10,15-17H,5-6,11-14H2,(H,27,30).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide?
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide has a molecular weight of 417.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46689860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).