N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride

C16H33ClN4O2 — CID 110012447

IUPACN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCN1CCN(CC(O)CN(C)C(=O)C2(C)CCCNC2)CC1.Cl
InChIInChI=1S/C16H32N4O2.ClH/c1-16(5-4-6-17-13-16)15(22)19(3)11-14(21)12-20-9-7-18(2)8-10-20;/h14,17,21H,4-13H2,1-3H3;1H
InChIKeyIUHBYEQYFLQOQO-UHFFFAOYSA-N
MW348.92 g/mol
LogP-0.14
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride (PubChem CID 110012447) has the molecular formula C16H33ClN4O2 and a molecular weight of 348.92 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
PubChem CID110012447
Molecular FormulaC16H33ClN4O2
Molecular Weight348.92 g/mol
Exact Mass348.23
IUPAC NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCN1CCN(CC(O)CN(C)C(=O)C2(C)CCCNC2)CC1.Cl
InChIInChI=1S/C16H32N4O2.ClH/c1-16(5-4-6-17-13-16)15(22)19(3)11-14(21)12-20-9-7-18(2)8-10-20;/h14,17,21H,4-13H2,1-3H3;1H
InChIKeyIUHBYEQYFLQOQO-UHFFFAOYSA-N
XLogP-0.14
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-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

1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide
CID 111695343
N-(2-hydroxy-2-methylpropyl)-N,3-dimethylpiperidine-3-carboxamide
CID 79377525
methyl 2-[methyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131941
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide
CID 111695301
N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130187
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946233
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 97223836
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 105056166
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135
N-cyclobutyl-N,3-dimethylpiperidine-3-carboxamide
CID 115747528
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
CID 111695265

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride (CID 110012447) is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride is CN1CCN(CC(O)CN(C)C(=O)C2(C)CCCNC2)CC1.Cl.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is IUHBYEQYFLQOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2.ClH/c1-16(5-4-6-17-13-16)15(22)19(3)11-14(21)12-20-9-7-18(2)8-10-20;/h14,17,21H,4-13H2,1-3H3;1H.
What are the key properties of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110012447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).