2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate

C14H24N2O3 — CID 174619182

IUPAC2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate
SMILESCC1(N2CCC(=O)CC2)CCN(CCOC=O)CC1
InChIInChI=1S/C14H24N2O3/c1-14(16-6-2-13(18)3-7-16)4-8-15(9-5-14)10-11-19-12-17/h12H,2-11H2,1H3
InChIKeyRRFYJRRPOVRIKX-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.68
Rot. Bonds5

About 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate

2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate (PubChem CID 174619182) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate.

Molecular Properties

Compound Name2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate
PubChem CID174619182
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate
SMILESCC1(N2CCC(=O)CC2)CCN(CCOC=O)CC1
InChIInChI=1S/C14H24N2O3/c1-14(16-6-2-13(18)3-7-16)4-8-15(9-5-14)10-11-19-12-17/h12H,2-11H2,1H3
InChIKeyRRFYJRRPOVRIKX-UHFFFAOYSA-N
XLogP0.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 68631599
1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one
CID 59419757
2-(4-formylpiperazin-1-yl)ethyl formate
CID 13468187
[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175267914
ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 97291667
2-(4-formylpiperidin-1-yl)ethyl formate
CID 174570080
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
CID 103179796
1-(4-butoxybutyl)piperidin-4-one
CID 70278532
1-(2-hydroxyethyl)piperidin-4-one
CID 15006446
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
1-(5-propoxypentyl)piperidin-4-one
CID 70277123

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate?
The IUPAC name of 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate (CID 174619182) is 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate.
What is the SMILES notation for 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate?
The canonical SMILES for 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate is CC1(N2CCC(=O)CC2)CCN(CCOC=O)CC1.
What is the InChIKey of 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate?
The InChIKey is RRFYJRRPOVRIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(16-6-2-13(18)3-7-16)4-8-15(9-5-14)10-11-19-12-17/h12H,2-11H2,1H3.
What are the key properties of 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate?
2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate has a molecular weight of 268.36 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate is sourced from PubChem (CID 174619182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).