3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide

C19H27BrN2O2 — CID 67803204

IUPAC3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(OCC2CCNCC2)c(Br)c1
InChIInChI=1S/C19H27BrN2O2/c20-17-12-15(19(23)22-16-4-2-1-3-5-16)6-7-18(17)24-13-14-8-10-21-11-9-14/h6-7,12,14,16,21H,1-5,8-11,13H2,(H,22,23)
InChIKeyLHFBFJSZPLTHGE-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.89
Rot. Bonds5

About 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide

3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide (PubChem CID 67803204) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
PubChem CID67803204
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(OCC2CCNCC2)c(Br)c1
InChIInChI=1S/C19H27BrN2O2/c20-17-12-15(19(23)22-16-4-2-1-3-5-16)6-7-18(17)24-13-14-8-10-21-11-9-14/h6-7,12,14,16,21H,1-5,8-11,13H2,(H,22,23)
InChIKeyLHFBFJSZPLTHGE-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
3-bromo-N-cyclohexyl-4-propoxybenzamide
CID 17342733
3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
CID 15943284
1-[3-bromo-4-(cyclopentylmethoxy)phenyl]ethanone
CID 66322201
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
3-bromo-4-(cyclopropylmethoxy)benzamide
CID 138985778
3-bromo-N-[2-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]cyclohexyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17131848
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67802753
3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide?
The IUPAC name of 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide (CID 67803204) is 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide?
The canonical SMILES for 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide is O=C(NC1CCCCC1)c1ccc(OCC2CCNCC2)c(Br)c1.
What is the InChIKey of 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide?
The InChIKey is LHFBFJSZPLTHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c20-17-12-15(19(23)22-16-4-2-1-3-5-16)6-7-18(17)24-13-14-8-10-21-11-9-14/h6-7,12,14,16,21H,1-5,8-11,13H2,(H,22,23).
What are the key properties of 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide?
3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide has a molecular weight of 395.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide is sourced from PubChem (CID 67803204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).