3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C20H35N3O3 — CID 141395780

IUPAC3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCC1C(N2CCC(C(=O)NCC(C)C)CC2)CC12CCN(C(=O)O)C2
InChIInChI=1S/C20H35N3O3/c1-4-16-17(11-20(16)7-10-23(13-20)19(25)26)22-8-5-15(6-9-22)18(24)21-12-14(2)3/h14-17H,4-13H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyOOKFSBQDQPVVFM-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.64
Rot. Bonds5

About 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 141395780) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID141395780
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCC1C(N2CCC(C(=O)NCC(C)C)CC2)CC12CCN(C(=O)O)C2
InChIInChI=1S/C20H35N3O3/c1-4-16-17(11-20(16)7-10-23(13-20)19(25)26)22-8-5-15(6-9-22)18(24)21-12-14(2)3/h14-17H,4-13H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyOOKFSBQDQPVVFM-UHFFFAOYSA-N
XLogP2.64
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid with MolForge

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Related Compounds

2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155034219
3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155407873
2-[4-[acetyl(2,2-difluoroethyl)amino]piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155407789
3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155408224
2-[4-[acetyl-(2-fluoro-2-methylpropyl)amino]piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155407818
3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155034220
3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144771
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
CID 110754077
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 109145270
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 141395780) is 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is CCC1C(N2CCC(C(=O)NCC(C)C)CC2)CC12CCN(C(=O)O)C2.
What is the InChIKey of 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is OOKFSBQDQPVVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-4-16-17(11-20(16)7-10-23(13-20)19(25)26)22-8-5-15(6-9-22)18(24)21-12-14(2)3/h14-17H,4-13H2,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 365.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 141395780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).