N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide

C14H27N3O — CID 65448637

IUPACN-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)N(C)C2CCCCC2)CCN1
InChIInChI=1S/C14H27N3O/c1-12-10-17(9-8-15-12)11-14(18)16(2)13-6-4-3-5-7-13/h12-13,15H,3-11H2,1-2H3
InChIKeyVPALBGCQAIMMHH-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds3

About N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide

N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide (PubChem CID 65448637) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
PubChem CID65448637
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)N(C)C2CCCCC2)CCN1
InChIInChI=1S/C14H27N3O/c1-12-10-17(9-8-15-12)11-14(18)16(2)13-6-4-3-5-7-13/h12-13,15H,3-11H2,1-2H3
InChIKeyVPALBGCQAIMMHH-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide (CID 65448637) is N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide is CC1CN(CC(=O)N(C)C2CCCCC2)CCN1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide?
The InChIKey is VPALBGCQAIMMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-10-17(9-8-15-12)11-14(18)16(2)13-6-4-3-5-7-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide?
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 65448637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).