N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide

C18H27BrN2O — CID 119740642

IUPACN-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(Cc1cccc(Br)c1)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H27BrN2O/c1-13(16-6-4-8-20-12-16)9-18(22)21-14(2)10-15-5-3-7-17(19)11-15/h3,5,7,11,13-14,16,20H,4,6,8-10,12H2,1-2H3,(H,21,22)
InChIKeyQBHYNMMOKYJDMV-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.52
Rot. Bonds6

About N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide

N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide (PubChem CID 119740642) has the molecular formula C18H27BrN2O and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide
PubChem CID119740642
Molecular FormulaC18H27BrN2O
Molecular Weight367.33 g/mol
Exact Mass366.13
IUPAC NameN-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(Cc1cccc(Br)c1)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H27BrN2O/c1-13(16-6-4-8-20-12-16)9-18(22)21-14(2)10-15-5-3-7-17(19)11-15/h3,5,7,11,13-14,16,20H,4,6,8-10,12H2,1-2H3,(H,21,22)
InChIKeyQBHYNMMOKYJDMV-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757975
3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 119801841
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119859518
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide (CID 119740642) is N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide is CC(Cc1cccc(Br)c1)NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is QBHYNMMOKYJDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O/c1-13(16-6-4-8-20-12-16)9-18(22)21-14(2)10-15-5-3-7-17(19)11-15/h3,5,7,11,13-14,16,20H,4,6,8-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide?
N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 367.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119740642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).