N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide

C17H31N3O — CID 106635191

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)CC1CCCCN1
InChIInChI=1S/C17H31N3O/c1-20(13-16-9-5-6-11-18-16)14-17(21)19-12-10-15-7-3-2-4-8-15/h7,16,18H,2-6,8-14H2,1H3,(H,19,21)
InChIKeyBBNUDJDARIRKMZ-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.07
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide (PubChem CID 106635191) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
PubChem CID106635191
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)CC1CCCCN1
InChIInChI=1S/C17H31N3O/c1-20(13-16-9-5-6-11-18-16)14-17(21)19-12-10-15-7-3-2-4-8-15/h7,16,18H,2-6,8-14H2,1H3,(H,19,21)
InChIKeyBBNUDJDARIRKMZ-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.07
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-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613603
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858733
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate
CID 62011450
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62016038
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide
CID 64980569
2-[methyl(piperidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106635732
2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277011
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
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-[methyl(piperidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide (CID 106635191) is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide is CN(CC(=O)NCCC1=CCCCC1)CC1CCCCN1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide?
The InChIKey is BBNUDJDARIRKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-20(13-16-9-5-6-11-18-16)14-17(21)19-12-10-15-7-3-2-4-8-15/h7,16,18H,2-6,8-14H2,1H3,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide has a molecular weight of 293.45 g/mol, XLogP of 2.07, 7 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-[methyl(piperidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106635191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).