N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide

C20H31N3O2 — CID 78786222

IUPACN-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H31N3O2/c1-16(20(25)21(2)17-8-4-3-5-9-17)22-12-14-23(15-13-22)18-10-6-7-11-19(18)24/h6-7,10-11,16-17,24H,3-5,8-9,12-15H2,1-2H3
InChIKeyURBWQUHIFUVLMG-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.69
Rot. Bonds4

About N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide

N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 78786222) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide
PubChem CID78786222
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H31N3O2/c1-16(20(25)21(2)17-8-4-3-5-9-17)22-12-14-23(15-13-22)18-10-6-7-11-19(18)24/h6-7,10-11,16-17,24H,3-5,8-9,12-15H2,1-2H3
InChIKeyURBWQUHIFUVLMG-UHFFFAOYSA-N
XLogP2.69
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 78786309
N-cyclohexyl-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792835
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpropanamide
CID 25377498
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpropanamide
CID 25377512
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 30620317
(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30622887
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17494408
N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 78819042
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 9357237
(2S)-N-cyclohexyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30620685

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide (CID 78786222) is N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide is CC(C(=O)N(C)C1CCCCC1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is URBWQUHIFUVLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16(20(25)21(2)17-8-4-3-5-9-17)22-12-14-23(15-13-22)18-10-6-7-11-19(18)24/h6-7,10-11,16-17,24H,3-5,8-9,12-15H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide?
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 78786222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).