(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one

C19H21N3O2S — CID 97391832

IUPAC(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)Cc3cccs3)CC2)N1
InChIInChI=1S/C19H21N3O2S/c23-17-13-16(14-3-7-20-8-4-14)19(21-17)5-9-22(10-6-19)18(24)12-15-2-1-11-25-15/h1-4,7-8,11,16H,5-6,9-10,12-13H2,(H,21,23)/t16-/m0/s1
InChIKeySMQAYUXXTATAQU-INIZCTEOSA-N
MW355.46 g/mol
LogP2.35
Rot. Bonds3

About (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one

(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97391832) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97391832
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)Cc3cccs3)CC2)N1
InChIInChI=1S/C19H21N3O2S/c23-17-13-16(14-3-7-20-8-4-14)19(21-17)5-9-22(10-6-19)18(24)12-15-2-1-11-25-15/h1-4,7-8,11,16H,5-6,9-10,12-13H2,(H,21,23)/t16-/m0/s1
InChIKeySMQAYUXXTATAQU-INIZCTEOSA-N
XLogP2.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469996
4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131640509
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
8-(4-methylbenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070711
8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131657887
(4R)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470037
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131646046
4-(1-methylpyrazol-4-yl)-8-(2-pyridin-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118743353
4-pyridin-3-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648546

Frequently Asked Questions

What is the IUPAC name of (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97391832) is (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)Cc3cccs3)CC2)N1.
What is the InChIKey of (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SMQAYUXXTATAQU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17-13-16(14-3-7-20-8-4-14)19(21-17)5-9-22(10-6-19)18(24)12-15-2-1-11-25-15/h1-4,7-8,11,16H,5-6,9-10,12-13H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one?
(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 355.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97391832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).