1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

C23H26BrFN2O2 — CID 55957750

IUPAC1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)C3(c4cccc(Br)c4)CC3)CC2)cc1F
InChIInChI=1S/C23H26BrFN2O2/c1-29-21-6-5-16(13-20(21)25)15-27-11-7-19(8-12-27)26-22(28)23(9-10-23)17-3-2-4-18(24)14-17/h2-6,13-14,19H,7-12,15H2,1H3,(H,26,28)
InChIKeyVZJCRPVYJBZFNT-UHFFFAOYSA-N
MW461.38 g/mol
LogP4.41
Rot. Bonds6

About 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 55957750) has the molecular formula C23H26BrFN2O2 and a molecular weight of 461.38 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID55957750
Molecular FormulaC23H26BrFN2O2
Molecular Weight461.38 g/mol
Exact Mass460.12
IUPAC Name1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)C3(c4cccc(Br)c4)CC3)CC2)cc1F
InChIInChI=1S/C23H26BrFN2O2/c1-29-21-6-5-16(13-20(21)25)15-27-11-7-19(8-12-27)26-22(28)23(9-10-23)17-3-2-4-18(24)14-17/h2-6,13-14,19H,7-12,15H2,1H3,(H,26,28)
InChIKeyVZJCRPVYJBZFNT-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55945200
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55957752
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
1-(3-chloro-4-methylphenyl)-3-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]urea
CID 55817120
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 55819274
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55957237
cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 124687769

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 55957750) is 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is COc1ccc(CN2CCC(NC(=O)C3(c4cccc(Br)c4)CC3)CC2)cc1F.
What is the InChIKey of 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is VZJCRPVYJBZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrFN2O2/c1-29-21-6-5-16(13-20(21)25)15-27-11-7-19(8-12-27)26-22(28)23(9-10-23)17-3-2-4-18(24)14-17/h2-6,13-14,19H,7-12,15H2,1H3,(H,26,28).
What are the key properties of 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 461.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55957750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).