N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide

C18H27BrN2O3 — CID 119810004

IUPACN-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(O)COc1ccccc1Br)C1CCNCC1
InChIInChI=1S/C18H27BrN2O3/c1-13(14-6-8-20-9-7-14)10-18(23)21-11-15(22)12-24-17-5-3-2-4-16(17)19/h2-5,13-15,20,22H,6-12H2,1H3,(H,21,23)
InChIKeyBZXDWFGJKSUTRU-UHFFFAOYSA-N
MW399.33 g/mol
LogP2.33
Rot. Bonds8

About N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide

N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide (PubChem CID 119810004) has the molecular formula C18H27BrN2O3 and a molecular weight of 399.33 g/mol. Its IUPAC name is N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide
PubChem CID119810004
Molecular FormulaC18H27BrN2O3
Molecular Weight399.33 g/mol
Exact Mass398.12
IUPAC NameN-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(O)COc1ccccc1Br)C1CCNCC1
InChIInChI=1S/C18H27BrN2O3/c1-13(14-6-8-20-9-7-14)10-18(23)21-11-15(22)12-24-17-5-3-2-4-16(17)19/h2-5,13-15,20,22H,6-12H2,1H3,(H,21,23)
InChIKeyBZXDWFGJKSUTRU-UHFFFAOYSA-N
XLogP2.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-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-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725486
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119776288
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
CID 119751711
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide (CID 119810004) is N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(O)COc1ccccc1Br)C1CCNCC1.
What is the InChIKey of N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide?
The InChIKey is BZXDWFGJKSUTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O3/c1-13(14-6-8-20-9-7-14)10-18(23)21-11-15(22)12-24-17-5-3-2-4-16(17)19/h2-5,13-15,20,22H,6-12H2,1H3,(H,21,23).
What are the key properties of N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide?
N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide has a molecular weight of 399.33 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119810004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).