2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile

C12H20N2O2 — CID 63979968

IUPAC2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile
SMILESCCC(C#N)C(=O)N1CCC(COC)CC1
InChIInChI=1S/C12H20N2O2/c1-3-11(8-13)12(15)14-6-4-10(5-7-14)9-16-2/h10-11H,3-7,9H2,1-2H3
InChIKeyJGAVBTUTNDXHTL-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.42
Rot. Bonds4

About 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile

2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile (PubChem CID 63979968) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile
PubChem CID63979968
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile
SMILESCCC(C#N)C(=O)N1CCC(COC)CC1
InChIInChI=1S/C12H20N2O2/c1-3-11(8-13)12(15)14-6-4-10(5-7-14)9-16-2/h10-11H,3-7,9H2,1-2H3
InChIKeyJGAVBTUTNDXHTL-UHFFFAOYSA-N
XLogP1.42
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-propylpiperidine-1-carbonyl)butanenitrile
CID 62206665
2-benzyl-3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 63979587
(2R)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796402
2-ethyl-2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile
CID 63979779
(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119776125
1-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 63977470
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126
2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]butanenitrile
CID 62968650
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
3-amino-1-[4-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 63979201
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile?
The IUPAC name of 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile (CID 63979968) is 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile?
The canonical SMILES for 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile is CCC(C#N)C(=O)N1CCC(COC)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile?
The InChIKey is JGAVBTUTNDXHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-11(8-13)12(15)14-6-4-10(5-7-14)9-16-2/h10-11H,3-7,9H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile?
2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile has a molecular weight of 224.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile is sourced from PubChem (CID 63979968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).