N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide

C16H29N3O — CID 64980569

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCCC2=CCCCC2)C(C)CN1
InChIInChI=1S/C16H29N3O/c1-13-11-19(14(2)10-18-13)12-16(20)17-9-8-15-6-4-3-5-7-15/h6,13-14,18H,3-5,7-12H2,1-2H3,(H,17,20)
InChIKeyDROHHUNGCPAPNM-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.68
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide (PubChem CID 64980569) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide
PubChem CID64980569
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCCC2=CCCCC2)C(C)CN1
InChIInChI=1S/C16H29N3O/c1-13-11-19(14(2)10-18-13)12-16(20)17-9-8-15-6-4-3-5-7-15/h6,13-14,18H,3-5,7-12H2,1-2H3,(H,17,20)
InChIKeyDROHHUNGCPAPNM-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 55627456
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
1-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylpiperazine
CID 106172766
2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 64980594
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684654
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613603
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9453527
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
methyl 4-[[2-(2,5-dimethylpiperazin-1-yl)acetyl]amino]butanoate
CID 64980819
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635191
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide (CID 64980569) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide is CC1CN(CC(=O)NCCC2=CCCCC2)C(C)CN1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide?
The InChIKey is DROHHUNGCPAPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-11-19(14(2)10-18-13)12-16(20)17-9-8-15-6-4-3-5-7-15/h6,13-14,18H,3-5,7-12H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide has a molecular weight of 279.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 64980569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).