N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H27ClN2O — CID 119674142

IUPACN-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NC1CCCCCCC1
InChIInChI=1S/C14H26N2O.ClH/c17-14(11-13-9-6-10-15-13)16-12-7-4-2-1-3-5-8-12;/h12-13,15H,1-11H2,(H,16,17);1H
InChIKeyALZQVXUKLKSNIY-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.78
Rot. Bonds3

About N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride

N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119674142) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119674142
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NC1CCCCCCC1
InChIInChI=1S/C14H26N2O.ClH/c17-14(11-13-9-6-10-15-13)16-12-7-4-2-1-3-5-8-12;/h12-13,15H,1-11H2,(H,16,17);1H
InChIKeyALZQVXUKLKSNIY-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
N-(4-hydroxycyclohexyl)-2-piperidin-2-ylacetamide
CID 43151230
2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide
CID 115738943
N-(3,5-dimethylcyclohexyl)-2-piperidin-2-ylacetamide
CID 64734481
N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide
CID 61365867
N-(3,3-dimethylcyclopentyl)-2-pyrrolidin-2-ylacetamide
CID 114546332
N-(1,1-dioxothiolan-3-yl)-2-piperidin-2-ylacetamide
CID 43151243
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119854358
N-cyclohexyl-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide
CID 119727444

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119674142) is N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is ALZQVXUKLKSNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c17-14(11-13-9-6-10-15-13)16-12-7-4-2-1-3-5-8-12;/h12-13,15H,1-11H2,(H,16,17);1H.
What are the key properties of N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119674142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).