N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide

C16H31N3O2 — CID 111695301

IUPACN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide
SMILESCN1CCN(CC(O)CN(C)C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-17-8-10-19(11-9-17)13-15(20)12-18(2)16(21)14-6-4-3-5-7-14/h14-15,20H,3-13H2,1-2H3
InChIKeyYHNXYJJEZZCYNS-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.63
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide (PubChem CID 111695301) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide
PubChem CID111695301
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide
SMILESCN1CCN(CC(O)CN(C)C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-17-8-10-19(11-9-17)13-15(20)12-18(2)16(21)14-6-4-3-5-7-14/h14-15,20H,3-13H2,1-2H3
InChIKeyYHNXYJJEZZCYNS-UHFFFAOYSA-N
XLogP0.63
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 97223836
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide
CID 111105801
1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide
CID 111695343
N-(2-chloropropyl)-N-methylcycloheptanecarboxamide
CID 63393755
6-[6-cyclohexadecyloxycarbonyloxyhexyl-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]amino]hexyl cyclohexadecanecarboxylate
CID 170028109
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 110012447
3-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbutanamide
CID 111912372
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
CID 110663593
3-(3,5-difluorophenyl)-1-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 95636392
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide
CID 111695242
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,4-trimethylbenzamide
CID 111695266
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide
CID 111695353

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide (CID 111695301) is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide is CN1CCN(CC(O)CN(C)C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide?
The InChIKey is YHNXYJJEZZCYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-17-8-10-19(11-9-17)13-15(20)12-18(2)16(21)14-6-4-3-5-7-14/h14-15,20H,3-13H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide?
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide has a molecular weight of 297.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 111695301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).