1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile

C14H22N2O3 — CID 82695487

IUPAC1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(OCCO)CC2)C1
InChIInChI=1S/C14H22N2O3/c1-11-8-14(9-11,10-15)13(18)16-4-2-12(3-5-16)19-7-6-17/h11-12,17H,2-9H2,1H3
InChIKeyRWTXCNCNZVAGOL-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.93
Rot. Bonds4

About 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile

1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile (PubChem CID 82695487) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
PubChem CID82695487
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(OCCO)CC2)C1
InChIInChI=1S/C14H22N2O3/c1-11-8-14(9-11,10-15)13(18)16-4-2-12(3-5-16)19-7-6-17/h11-12,17H,2-9H2,1H3
InChIKeyRWTXCNCNZVAGOL-UHFFFAOYSA-N
XLogP0.93
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80501516
1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80599226
[4-(2-hydroxyethoxy)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82691361
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82015373
1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501195
1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501388
3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 112698946
methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate
CID 80501003
methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate
CID 112617528
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one
CID 82696316
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 82696089
(E)-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 82695812

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile (CID 82695487) is 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile is CC1CC(C#N)(C(=O)N2CCC(OCCO)CC2)C1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The InChIKey is RWTXCNCNZVAGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11-8-14(9-11,10-15)13(18)16-4-2-12(3-5-16)19-7-6-17/h11-12,17H,2-9H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 82695487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).