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

C23H27BrN2O — CID 55745166

IUPAC1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(CN2CCC(NC(=O)C3(c4cccc(Br)c4)CC3)CC2)c1
InChIInChI=1S/C23H27BrN2O/c1-17-4-2-5-18(14-17)16-26-12-8-21(9-13-26)25-22(27)23(10-11-23)19-6-3-7-20(24)15-19/h2-7,14-15,21H,8-13,16H2,1H3,(H,25,27)
InChIKeyBRGCSGXLWBWKFE-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.57
Rot. Bonds5

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

1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 55745166) has the molecular formula C23H27BrN2O and a molecular weight of 427.39 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID55745166
Molecular FormulaC23H27BrN2O
Molecular Weight427.39 g/mol
Exact Mass426.13
IUPAC Name1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(CN2CCC(NC(=O)C3(c4cccc(Br)c4)CC3)CC2)c1
InChIInChI=1S/C23H27BrN2O/c1-17-4-2-5-18(14-17)16-26-12-8-21(9-13-26)25-22(27)23(10-11-23)19-6-3-7-20(24)15-19/h2-7,14-15,21H,8-13,16H2,1H3,(H,25,27)
InChIKeyBRGCSGXLWBWKFE-UHFFFAOYSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55957750
1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55945200
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32531017
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163349250
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55845430
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 55715107
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692283

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 55745166) is 1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is Cc1cccc(CN2CCC(NC(=O)C3(c4cccc(Br)c4)CC3)CC2)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is BRGCSGXLWBWKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O/c1-17-4-2-5-18(14-17)16-26-12-8-21(9-13-26)25-22(27)23(10-11-23)19-6-3-7-20(24)15-19/h2-7,14-15,21H,8-13,16H2,1H3,(H,25,27).
What are the key properties of 1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 427.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55745166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).