N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide

C16H28N2O2 — CID 128685706

IUPACN-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-2-16(13-19)8-10-18(11-9-16)15(20)17-12-14-6-4-3-5-7-14/h6,19H,2-5,7-13H2,1H3,(H,17,20)
InChIKeyUNSOWASANDIZEF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.68
Rot. Bonds4

About N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide

N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 128685706) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID128685706
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-2-16(13-19)8-10-18(11-9-16)15(20)17-12-14-6-4-3-5-7-14/h6,19H,2-5,7-13H2,1H3,(H,17,20)
InChIKeyUNSOWASANDIZEF-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 75436603
N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138010392
1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 107855976
2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63162157
3-[(4,4-diethylazepane-1-carbonyl)amino]propanoic acid
CID 122018412
4-[(cyclohexen-1-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122015864
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 107856024
2-(cyclohexen-1-yl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727391
N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 122562954
cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine
CID 170316861
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707162

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide (CID 128685706) is N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide is CCC1(CO)CCN(C(=O)NCC2=CCCCC2)CC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UNSOWASANDIZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-16(13-19)8-10-18(11-9-16)15(20)17-12-14-6-4-3-5-7-14/h6,19H,2-5,7-13H2,1H3,(H,17,20).
What are the key properties of N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 128685706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).