2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide

C19H29BrN2O2 — CID 119558350

IUPAC2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide
SMILESCOCCC(Cc1cccc(Br)c1)C(=O)NCCC1CCCNC1
InChIInChI=1S/C19H29BrN2O2/c1-24-11-8-17(12-16-4-2-6-18(20)13-16)19(23)22-10-7-15-5-3-9-21-14-15/h2,4,6,13,15,17,21H,3,5,7-12,14H2,1H3,(H,22,23)
InChIKeyPLAZDKBGXOHEHP-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.15
Rot. Bonds9

About 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide

2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide (PubChem CID 119558350) has the molecular formula C19H29BrN2O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide
PubChem CID119558350
Molecular FormulaC19H29BrN2O2
Molecular Weight397.36 g/mol
Exact Mass396.14
IUPAC Name2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide
SMILESCOCCC(Cc1cccc(Br)c1)C(=O)NCCC1CCCNC1
InChIInChI=1S/C19H29BrN2O2/c1-24-11-8-17(12-16-4-2-6-18(20)13-16)19(23)22-10-7-15-5-3-9-21-14-15/h2,4,6,13,15,17,21H,3,5,7-12,14H2,1H3,(H,22,23)
InChIKeyPLAZDKBGXOHEHP-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557900
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
1-(4-aminopiperidin-1-yl)-2-[(3-bromophenyl)methyl]-4-methoxybutan-1-one
CID 119375894
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride
CID 119555844
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
1-[2-[(3-bromophenyl)methyl]-4-methoxybutanoyl]piperidine-3-carboxylic acid
CID 119167743
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperidin-3-ylethyl)acetamide
CID 119556601

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide?
The IUPAC name of 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide (CID 119558350) is 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide is COCCC(Cc1cccc(Br)c1)C(=O)NCCC1CCCNC1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide?
The InChIKey is PLAZDKBGXOHEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O2/c1-24-11-8-17(12-16-4-2-6-18(20)13-16)19(23)22-10-7-15-5-3-9-21-14-15/h2,4,6,13,15,17,21H,3,5,7-12,14H2,1H3,(H,22,23).
What are the key properties of 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide?
2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide has a molecular weight of 397.36 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-4-methoxy-N-(2-piperidin-3-ylethyl)butanamide is sourced from PubChem (CID 119558350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).