N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide

C21H33N3O2 — CID 78786309

IUPACN-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
SMILESCOc1cccc(N2CCN(C(C)C(=O)N(C)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-17(21(25)22(2)18-8-5-4-6-9-18)23-12-14-24(15-13-23)19-10-7-11-20(16-19)26-3/h7,10-11,16-18H,4-6,8-9,12-15H2,1-3H3
InChIKeyGPXJBBMUCVBWGQ-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.00
Rot. Bonds5

About N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide

N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 78786309) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
PubChem CID78786309
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
SMILESCOc1cccc(N2CCN(C(C)C(=O)N(C)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-17(21(25)22(2)18-8-5-4-6-9-18)23-12-14-24(15-13-23)19-10-7-11-20(16-19)26-3/h7,10-11,16-18H,4-6,8-9,12-15H2,1-3H3
InChIKeyGPXJBBMUCVBWGQ-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 78786222
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
N-cyclohexyl-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792835
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 11928091
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 9442785
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 9116613
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
N-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43053261
(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95899369
1-(3-methoxyphenyl)azepane
CID 57276431

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide (CID 78786309) is N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide is COc1cccc(N2CCN(C(C)C(=O)N(C)C3CCCCC3)CC2)c1.
What is the InChIKey of N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is GPXJBBMUCVBWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17(21(25)22(2)18-8-5-4-6-9-18)23-12-14-24(15-13-23)19-10-7-11-20(16-19)26-3/h7,10-11,16-18H,4-6,8-9,12-15H2,1-3H3.
What are the key properties of N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide?
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 359.51 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 78786309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).