2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid

C17H29NO2 — CID 114820697

IUPAC2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCCN1C1CCC2(CCCC2)CC1
InChIInChI=1S/C17H29NO2/c19-16(20)13-15-5-1-4-12-18(15)14-6-10-17(11-7-14)8-2-3-9-17/h14-15H,1-13H2,(H,19,20)
InChIKeyKNAWAXBGZIRGMD-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.82
Rot. Bonds3

About 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid

2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid (PubChem CID 114820697) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid
PubChem CID114820697
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCCN1C1CCC2(CCCC2)CC1
InChIInChI=1S/C17H29NO2/c19-16(20)13-15-5-1-4-12-18(15)14-6-10-17(11-7-14)8-2-3-9-17/h14-15H,1-13H2,(H,19,20)
InChIKeyKNAWAXBGZIRGMD-UHFFFAOYSA-N
XLogP3.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4,4-dimethylcyclohexyl)piperidin-2-yl]acetic acid
CID 65063549
2-[1-(thian-4-yl)pyrrolidin-2-yl]acetic acid
CID 65068053
1-(1-cyclohexylpyrrolidin-2-yl)propan-2-one
CID 79546496
N-methyl-1-(1-spiro[4.5]decan-8-ylpyrrolidin-2-yl)methanamine
CID 114818954
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
2-[1-(oxolan-3-yl)pyrrolidin-2-yl]acetic acid
CID 63563210
2-spiro[5.5]undecan-3-ylacetic acid
CID 83909560
2-[1-(2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid
CID 54899446
1-[1-(oxan-4-yl)azepan-2-yl]propan-2-one
CID 79560706
2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid
CID 65067814
2-[1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-yl]acetic acid
CID 65067859
2-[4-(4,4-dimethylcyclohexyl)thiomorpholin-3-yl]acetic acid
CID 66422970

Frequently Asked Questions

What is the IUPAC name of 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid?
The IUPAC name of 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid (CID 114820697) is 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid is O=C(O)CC1CCCCN1C1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid?
The InChIKey is KNAWAXBGZIRGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c19-16(20)13-15-5-1-4-12-18(15)14-6-10-17(11-7-14)8-2-3-9-17/h14-15H,1-13H2,(H,19,20).
What are the key properties of 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid?
2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid has a molecular weight of 279.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid is sourced from PubChem (CID 114820697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).