2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide

C15H29N3O — CID 47011077

IUPAC2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-16(2)15(19)13-18-10-8-17(9-11-18)12-14-6-4-3-5-7-14/h14H,3-13H2,1-2H3
InChIKeyGBFMOBPAHKVRCD-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.27
Rot. Bonds4

About 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 47011077) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID47011077
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-16(2)15(19)13-18-10-8-17(9-11-18)12-14-6-4-3-5-7-14/h14H,3-13H2,1-2H3
InChIKeyGBFMOBPAHKVRCD-UHFFFAOYSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 47011077) is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is GBFMOBPAHKVRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-16(2)15(19)13-18-10-8-17(9-11-18)12-14-6-4-3-5-7-14/h14H,3-13H2,1-2H3.
What are the key properties of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 267.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 47011077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).