N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C18H28BrClN2O2 — CID 119796446

IUPACN-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1(OC)CCNCC1)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C18H27BrN2O2.ClH/c1-3-14(11-15-5-4-6-16(19)12-15)13-21-17(22)18(23-2)7-9-20-10-8-18;/h4-6,12,14,20H,3,7-11,13H2,1-2H3,(H,21,22);1H
InChIKeyMNZLYGOJGWCVGW-UHFFFAOYSA-N
MW419.79 g/mol
LogP3.32
Rot. Bonds7

About N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119796446) has the molecular formula C18H28BrClN2O2 and a molecular weight of 419.79 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119796446
Molecular FormulaC18H28BrClN2O2
Molecular Weight419.79 g/mol
Exact Mass418.10
IUPAC NameN-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1(OC)CCNCC1)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C18H27BrN2O2.ClH/c1-3-14(11-15-5-4-6-16(19)12-15)13-21-17(22)18(23-2)7-9-20-10-8-18;/h4-6,12,14,20H,3,7-11,13H2,1-2H3,(H,21,22);1H
InChIKeyMNZLYGOJGWCVGW-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634778
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119786297
N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119753686
2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide
CID 119330786
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
N-[2-[(3-bromophenyl)methyl]butyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939586
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119889405
3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119796434
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119796446) is N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is CCC(CNC(=O)C1(OC)CCNCC1)Cc1cccc(Br)c1.Cl.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is MNZLYGOJGWCVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2.ClH/c1-3-14(11-15-5-4-6-16(19)12-15)13-21-17(22)18(23-2)7-9-20-10-8-18;/h4-6,12,14,20H,3,7-11,13H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 419.79 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119796446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).