(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid

C16H26N2O3 — CID 81121128

IUPAC(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)N2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C16H26N2O3/c19-14(20)13-4-3-9-18(12-13)15(21)17-10-7-16(8-11-17)5-1-2-6-16/h13H,1-12H2,(H,19,20)/t13-/m1/s1
InChIKeyNDGAEQRVQJAMDA-CYBMUJFWSA-N
MW294.39 g/mol
LogP2.56
Rot. Bonds1

About (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81121128) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
PubChem CID81121128
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)N2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C16H26N2O3/c19-14(20)13-4-3-9-18(12-13)15(21)17-10-7-16(8-11-17)5-1-2-6-16/h13H,1-12H2,(H,19,20)/t13-/m1/s1
InChIKeyNDGAEQRVQJAMDA-CYBMUJFWSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-azaspiro[4.5]decan-8-yl(pyrrolidin-1-yl)methanone
CID 115642029
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
CID 97080385
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032464
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
1-(4-methylsulfanylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 123306117
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid (CID 81121128) is (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)N2CCC3(CCCC3)CC2)C1.
What is the InChIKey of (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is NDGAEQRVQJAMDA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14(20)13-4-3-9-18(12-13)15(21)17-10-7-16(8-11-17)5-1-2-6-16/h13H,1-12H2,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81121128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).