(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H23N3O3 — CID 97150471

IUPAC(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)CCc3ccncc3)CC2)CN1
InChIInChI=1S/C17H23N3O3/c21-15(2-1-13-3-7-18-8-4-13)20-9-5-17(6-10-20)11-14(16(22)23)19-12-17/h3-4,7-8,14,19H,1-2,5-6,9-12H2,(H,22,23)/t14-/m1/s1
InChIKeyGPEIXAHQVDFBNK-CQSZACIVSA-N
MW317.39 g/mol
LogP1.07
Rot. Bonds4

About (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97150471) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97150471
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)CCc3ccncc3)CC2)CN1
InChIInChI=1S/C17H23N3O3/c21-15(2-1-13-3-7-18-8-4-13)20-9-5-17(6-10-20)11-14(16(22)23)19-12-17/h3-4,7-8,14,19H,1-2,5-6,9-12H2,(H,22,23)/t14-/m1/s1
InChIKeyGPEIXAHQVDFBNK-CQSZACIVSA-N
XLogP1.07
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72917920
(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97145994
(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97148975
2-[3-oxo-9-(3-pyridin-4-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 86284128
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 123982868
4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
CID 115276831
2-[[(2S)-oxolan-2-yl]methyl]-9-(3-pyridin-4-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97141482
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
2,8-diazaspiro[4.5]decan-3-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56905339

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97150471) is (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@H]1CC2(CCN(C(=O)CCc3ccncc3)CC2)CN1.
What is the InChIKey of (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is GPEIXAHQVDFBNK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15(2-1-13-3-7-18-8-4-13)20-9-5-17(6-10-20)11-14(16(22)23)19-12-17/h3-4,7-8,14,19H,1-2,5-6,9-12H2,(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97150471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).