N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C19H30N4O — CID 78808128

IUPACN-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C19H30N4O/c1-16-6-8-17(9-7-16)21(2)19(24)15-22-11-13-23(14-12-22)18-5-3-4-10-20-18/h3-5,10,16-17H,6-9,11-15H2,1-2H3
InChIKeyINIXLPBNVNGVAO-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 78808128) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID78808128
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C19H30N4O/c1-16-6-8-17(9-7-16)21(2)19(24)15-22-11-13-23(14-12-22)18-5-3-4-10-20-18/h3-5,10,16-17H,6-9,11-15H2,1-2H3
InChIKeyINIXLPBNVNGVAO-UHFFFAOYSA-N
XLogP2.24
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 78807930
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119532295
N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 86983807
N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550223
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 51103465
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
N-cyclohexyl-N-methyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108503873
4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091378

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 78808128) is N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CC1CCC(N(C)C(=O)CN2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is INIXLPBNVNGVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-6-8-17(9-7-16)21(2)19(24)15-22-11-13-23(14-12-22)18-5-3-4-10-20-18/h3-5,10,16-17H,6-9,11-15H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 330.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 78808128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).