N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide

C17H29N3O — CID 63874630

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)N(C2=CCCCC2)C2CC2)CC(C)N1
InChIInChI=1S/C17H29N3O/c1-13-10-19(11-14(2)18-13)12-17(21)20(16-8-9-16)15-6-4-3-5-7-15/h6,13-14,16,18H,3-5,7-12H2,1-2H3
InChIKeyITAFTIYECVPXJG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.12
Rot. Bonds4

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide (PubChem CID 63874630) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide
PubChem CID63874630
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)N(C2=CCCCC2)C2CC2)CC(C)N1
InChIInChI=1S/C17H29N3O/c1-13-10-19(11-14(2)18-13)12-17(21)20(16-8-9-16)15-6-4-3-5-7-15/h6,13-14,16,18H,3-5,7-12H2,1-2H3
InChIKeyITAFTIYECVPXJG-UHFFFAOYSA-N
XLogP2.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide
CID 43237174
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 95311357
ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 51110425
2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 81222527
2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 115313060
3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466450
2-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238312
N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975890
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61013485
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 61370838
2-amino-3-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385370
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060777

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide (CID 63874630) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide is CC1CN(CC(=O)N(C2=CCCCC2)C2CC2)CC(C)N1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide?
The InChIKey is ITAFTIYECVPXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-10-19(11-14(2)18-13)12-17(21)20(16-8-9-16)15-6-4-3-5-7-15/h6,13-14,16,18H,3-5,7-12H2,1-2H3.
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 63874630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).