N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide

C17H23BrN2O2 — CID 119786297

IUPACN-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC2(c3cccc(Br)c3)CC2)CCNCC1
InChIInChI=1S/C17H23BrN2O2/c1-22-17(7-9-19-10-8-17)15(21)20-12-16(5-6-16)13-3-2-4-14(18)11-13/h2-4,11,19H,5-10,12H2,1H3,(H,20,21)
InChIKeyCHHNVCJXACCMIW-UHFFFAOYSA-N
MW367.29 g/mol
LogP2.37
Rot. Bonds5

About N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide

N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119786297) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119786297
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC NameN-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC2(c3cccc(Br)c3)CC2)CCNCC1
InChIInChI=1S/C17H23BrN2O2/c1-22-17(7-9-19-10-8-17)15(21)20-12-16(5-6-16)13-3-2-4-14(18)11-13/h2-4,11,19H,5-10,12H2,1H3,(H,20,21)
InChIKeyCHHNVCJXACCMIW-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119770587
4-methoxy-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 119699113
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119769965
N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119796446
N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119734944
N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119753686
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide
CID 56791058
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119699598

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide (CID 119786297) is N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCC2(c3cccc(Br)c3)CC2)CCNCC1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is CHHNVCJXACCMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-22-17(7-9-19-10-8-17)15(21)20-12-16(5-6-16)13-3-2-4-14(18)11-13/h2-4,11,19H,5-10,12H2,1H3,(H,20,21).
What are the key properties of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide?
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119786297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).