3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide

C17H25BrN2O2 — CID 120891255

IUPAC3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCc2cccc(Br)c2)CCNCC1
InChIInChI=1S/C17H25BrN2O2/c1-22-13-17(7-9-19-10-8-17)12-20-16(21)6-5-14-3-2-4-15(18)11-14/h2-4,11,19H,5-10,12-13H2,1H3,(H,20,21)
InChIKeyLMGVSQHKCMBKNO-UHFFFAOYSA-N
MW369.30 g/mol
LogP2.51
Rot. Bonds7

About 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide

3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 120891255) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
PubChem CID120891255
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCc2cccc(Br)c2)CCNCC1
InChIInChI=1S/C17H25BrN2O2/c1-22-13-17(7-9-19-10-8-17)12-20-16(21)6-5-14-3-2-4-15(18)11-14/h2-4,11,19H,5-10,12-13H2,1H3,(H,20,21)
InChIKeyLMGVSQHKCMBKNO-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
CID 115271382
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide
CID 120891684
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449320
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544919
3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide
CID 122570668
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120890622
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79038684

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (CID 120891255) is 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is COCC1(CNC(=O)CCc2cccc(Br)c2)CCNCC1.
What is the InChIKey of 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is LMGVSQHKCMBKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-22-13-17(7-9-19-10-8-17)12-20-16(21)6-5-14-3-2-4-15(18)11-14/h2-4,11,19H,5-10,12-13H2,1H3,(H,20,21).
What are the key properties of 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 369.30 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 120891255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).