N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide

C21H25BrN2O — CID 127122392

IUPACN-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
SMILESO=C(CCc1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25BrN2O/c22-19-8-4-7-17(15-19)9-10-21(25)23-20-11-13-24(14-12-20)16-18-5-2-1-3-6-18/h1-8,15,20H,9-14,16H2,(H,23,25)
InChIKeyHHVLFULMFBXXOB-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.16
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide

N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide (PubChem CID 127122392) has the molecular formula C21H25BrN2O and a molecular weight of 401.35 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
PubChem CID127122392
Molecular FormulaC21H25BrN2O
Molecular Weight401.35 g/mol
Exact Mass400.12
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
SMILESO=C(CCc1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25BrN2O/c22-19-8-4-7-17(15-19)9-10-21(25)23-20-11-13-24(14-12-20)16-18-5-2-1-3-6-18/h1-8,15,20H,9-14,16H2,(H,23,25)
InChIKeyHHVLFULMFBXXOB-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
CID 42993423
N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738316
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163349250
N-(1-benzylpiperidin-4-yl)-3-[2-(diethylamino)-4-pyridinyl]propanamide
CID 53186096
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692283
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane
CID 155778700
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide (CID 127122392) is N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide is O=C(CCc1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide?
The InChIKey is HHVLFULMFBXXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O/c22-19-8-4-7-17(15-19)9-10-21(25)23-20-11-13-24(14-12-20)16-18-5-2-1-3-6-18/h1-8,15,20H,9-14,16H2,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide?
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide has a molecular weight of 401.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide is sourced from PubChem (CID 127122392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).