1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile

C12H18N2O2 — CID 106586857

IUPAC1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCOCC1CCCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C12H18N2O2/c1-16-8-10-3-2-6-14(7-10)11(15)12(9-13)4-5-12/h10H,2-8H2,1H3
InChIKeySYUXFVMBHIOGGL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.18
Rot. Bonds3

About 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 106586857) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID106586857
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCOCC1CCCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C12H18N2O2/c1-16-8-10-3-2-6-14(7-10)11(15)12(9-13)4-5-12/h10H,2-8H2,1H3
InChIKeySYUXFVMBHIOGGL-UHFFFAOYSA-N
XLogP1.18
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
propan-2-yl 2-[1-(1-cyanocyclohexanecarbonyl)piperidin-3-yl]acetate
CID 122143023
methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 114797594
[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119781751
1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 103533305
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
N'-hydroxy-1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboximidamide
CID 106588198
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
(E)-4-[(3S)-3-(methoxymethyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 129414306

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 106586857) is 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile is COCC1CCCN(C(=O)C2(C#N)CC2)C1.
What is the InChIKey of 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is SYUXFVMBHIOGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-8-10-3-2-6-14(7-10)11(15)12(9-13)4-5-12/h10H,2-8H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 106586857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).