N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide

C18H25BrN2O — CID 171336029

IUPACN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C18H25BrN2O/c1-20(18(22)14-6-4-7-14)16-9-11-21(12-10-16)13-15-5-2-3-8-17(15)19/h2-3,5,8,14,16H,4,6-7,9-13H2,1H3
InChIKeyXNDNDFMPZKFHEO-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.67
Rot. Bonds4

About N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide (PubChem CID 171336029) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
PubChem CID171336029
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC NameN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C18H25BrN2O/c1-20(18(22)14-6-4-7-14)16-9-11-21(12-10-16)13-15-5-2-3-8-17(15)19/h2-3,5,8,14,16H,4,6-7,9-13H2,1H3
InChIKeyXNDNDFMPZKFHEO-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336017
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349605
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
1-[(2R)-2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]azepan-1-yl]ethanone
CID 95617535
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
1-[(2-bromophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904726
1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75833581
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328729

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide (CID 171336029) is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The InChIKey is XNDNDFMPZKFHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O/c1-20(18(22)14-6-4-7-14)16-9-11-21(12-10-16)13-15-5-2-3-8-17(15)19/h2-3,5,8,14,16H,4,6-7,9-13H2,1H3.
What are the key properties of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide has a molecular weight of 365.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 171336029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).