N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide

C17H30N2O2 — CID 72871248

IUPACN-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide
SMILESC=CCC1(CO)CCCN(CC(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-9-17(14-20)10-6-11-19(13-17)12-16(21)18-15-7-4-3-5-8-15/h2,15,20H,1,3-14H2,(H,18,21)
InChIKeyLLLQGVJKLPUPSK-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.09
Rot. Bonds6

About N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide

N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide (PubChem CID 72871248) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide
PubChem CID72871248
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide
SMILESC=CCC1(CO)CCCN(CC(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-9-17(14-20)10-6-11-19(13-17)12-16(21)18-15-7-4-3-5-8-15/h2,15,20H,1,3-14H2,(H,18,21)
InChIKeyLLLQGVJKLPUPSK-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.09
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

1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148645
N-cyclooctyl-2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]acetamide
CID 135104203
3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 82363389
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 115359623
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetamide
CID 103966529
(3aS,6aR)-2-[2-(cyclooctylamino)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680563
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
(1-ethylpiperidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
CID 97148086
3-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137457
(3aS,6aR)-2-[2-(cycloheptylamino)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681380
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide (CID 72871248) is N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide is C=CCC1(CO)CCCN(CC(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide?
The InChIKey is LLLQGVJKLPUPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-9-17(14-20)10-6-11-19(13-17)12-16(21)18-15-7-4-3-5-8-15/h2,15,20H,1,3-14H2,(H,18,21).
What are the key properties of N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide?
N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide has a molecular weight of 294.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]acetamide is sourced from PubChem (CID 72871248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).