N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide

C18H27BrN2O2 — CID 119694049

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccc(C(C)NC(=O)CC(C)C2CCCNC2)cc1Br
InChIInChI=1S/C18H27BrN2O2/c1-12(15-5-4-8-20-11-15)9-18(22)21-13(2)14-6-7-17(23-3)16(19)10-14/h6-7,10,12-13,15,20H,4-5,8-9,11H2,1-3H3,(H,21,22)
InChIKeyUOMNXLNPGRRYIK-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.66
Rot. Bonds6

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119694049) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119694049
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccc(C(C)NC(=O)CC(C)C2CCCNC2)cc1Br
InChIInChI=1S/C18H27BrN2O2/c1-12(15-5-4-8-20-11-15)9-18(22)21-13(2)14-6-7-17(23-3)16(19)10-14/h6-7,10,12-13,15,20H,4-5,8-9,11H2,1-3H3,(H,21,22)
InChIKeyUOMNXLNPGRRYIK-UHFFFAOYSA-N
XLogP3.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119721204
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119693479
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729798
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-piperidin-3-ylbutanamide
CID 119735236
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide (CID 119694049) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide is COc1ccc(C(C)NC(=O)CC(C)C2CCCNC2)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is UOMNXLNPGRRYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-12(15-5-4-8-20-11-15)9-18(22)21-13(2)14-6-7-17(23-3)16(19)10-14/h6-7,10,12-13,15,20H,4-5,8-9,11H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 383.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119694049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).