N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide

C19H29BrN2O2 — CID 120634778

IUPACN-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCC(CNC(=O)C1(COC)CCNCC1)Cc1cccc(Br)c1
InChIInChI=1S/C19H29BrN2O2/c1-3-15(11-16-5-4-6-17(20)12-16)13-22-18(23)19(14-24-2)7-9-21-10-8-19/h4-6,12,15,21H,3,7-11,13-14H2,1-2H3,(H,22,23)
InChIKeyQAOMXDWNWQOKFC-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.15
Rot. Bonds8

About N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120634778) has the molecular formula C19H29BrN2O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120634778
Molecular FormulaC19H29BrN2O2
Molecular Weight397.36 g/mol
Exact Mass396.14
IUPAC NameN-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCC(CNC(=O)C1(COC)CCNCC1)Cc1cccc(Br)c1
InChIInChI=1S/C19H29BrN2O2/c1-3-15(11-16-5-4-6-17(20)12-16)13-22-18(23)19(14-24-2)7-9-21-10-8-19/h4-6,12,15,21H,3,7-11,13-14H2,1-2H3,(H,22,23)
InChIKeyQAOMXDWNWQOKFC-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119796446
N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642373
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635556
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide
CID 119330786
3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891255
4-(methoxymethyl)-N-[2-(3-methoxyphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 120636224
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120636251
4-(methoxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 120625793
N-[2-[(3-bromophenyl)methyl]butyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939586

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120634778) is N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide is CCC(CNC(=O)C1(COC)CCNCC1)Cc1cccc(Br)c1.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is QAOMXDWNWQOKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O2/c1-3-15(11-16-5-4-6-17(20)12-16)13-22-18(23)19(14-24-2)7-9-21-10-8-19/h4-6,12,15,21H,3,7-11,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 3.15, 8 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-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120634778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).