1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide

C17H24BrN3O — CID 166284441

IUPAC1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(NC2CCN(C)C(c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C17H24BrN3O/c1-19-16(22)17(8-9-17)20-14-7-10-21(2)15(11-14)12-3-5-13(18)6-4-12/h3-6,14-15,20H,7-11H2,1-2H3,(H,19,22)
InChIKeyFHDVFDAVEVWWPL-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.45
Rot. Bonds4

About 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide

1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide (PubChem CID 166284441) has the molecular formula C17H24BrN3O and a molecular weight of 366.30 g/mol. Its IUPAC name is 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide
PubChem CID166284441
Molecular FormulaC17H24BrN3O
Molecular Weight366.30 g/mol
Exact Mass365.11
IUPAC Name1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(NC2CCN(C)C(c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C17H24BrN3O/c1-19-16(22)17(8-9-17)20-14-7-10-21(2)15(11-14)12-3-5-13(18)6-4-12/h3-6,14-15,20H,7-11H2,1-2H3,(H,19,22)
InChIKeyFHDVFDAVEVWWPL-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 166284440
3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 177227583
[1-(4-bromophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562680
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
3-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-2-carboxamide
CID 84818069
(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 146358139
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463
1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84606143

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide (CID 166284441) is 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide is CNC(=O)C1(NC2CCN(C)C(c3ccc(Br)cc3)C2)CC1.
What is the InChIKey of 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide?
The InChIKey is FHDVFDAVEVWWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O/c1-19-16(22)17(8-9-17)20-14-7-10-21(2)15(11-14)12-3-5-13(18)6-4-12/h3-6,14-15,20H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide?
1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide has a molecular weight of 366.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 166284441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).