N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C16H23BrClN3O3 — CID 119739146

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCNCC1.Cl
InChIInChI=1S/C16H22BrN3O3.ClH/c1-23-16(7-10-18-11-8-16)15(22)19-9-6-14(21)20-13-4-2-12(17)3-5-13;/h2-5,18H,6-11H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyYSIFKRJEJHGFMK-UHFFFAOYSA-N
MW420.74 g/mol
LogP2.08
Rot. Bonds6

About N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119739146) has the molecular formula C16H23BrClN3O3 and a molecular weight of 420.74 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119739146
Molecular FormulaC16H23BrClN3O3
Molecular Weight420.74 g/mol
Exact Mass419.06
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCNCC1.Cl
InChIInChI=1S/C16H22BrN3O3.ClH/c1-23-16(7-10-18-11-8-16)15(22)19-9-6-14(21)20-13-4-2-12(17)3-5-13;/h2-5,18H,6-11H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyYSIFKRJEJHGFMK-UHFFFAOYSA-N
XLogP2.08
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.74
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride 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-(3-anilino-3-oxopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785811
N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761974
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119764561
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-[3-(ethylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
CID 114284531
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride
CID 119297988
4-methoxy-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119739010
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119739146) is N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCNCC1.Cl.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is YSIFKRJEJHGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3.ClH/c1-23-16(7-10-18-11-8-16)15(22)19-9-6-14(21)20-13-4-2-12(17)3-5-13;/h2-5,18H,6-11H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 420.74 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119739146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).