9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione

C24H29N5O4S — CID 68666873

IUPAC9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)OC2(CCCN(C3CCN(C(=O)c4cc(-c5ccccn5)sc4N)CC3)C2)C1=O
InChIInChI=1S/C24H29N5O4S/c1-2-29-22(31)24(33-23(29)32)9-5-11-28(15-24)16-7-12-27(13-8-16)21(30)17-14-19(34-20(17)25)18-6-3-4-10-26-18/h3-4,6,10,14,16H,2,5,7-9,11-13,15,25H2,1H3
InChIKeyIWSRIDHQNFYZFG-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.83
Rot. Bonds4

About 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione

9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione (PubChem CID 68666873) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione
PubChem CID68666873
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)OC2(CCCN(C3CCN(C(=O)c4cc(-c5ccccn5)sc4N)CC3)C2)C1=O
InChIInChI=1S/C24H29N5O4S/c1-2-29-22(31)24(33-23(29)32)9-5-11-28(15-24)16-7-12-27(13-8-16)21(30)17-14-19(34-20(17)25)18-6-3-4-10-26-18/h3-4,6,10,14,16H,2,5,7-9,11-13,15,25H2,1H3
InChIKeyIWSRIDHQNFYZFG-UHFFFAOYSA-N
XLogP2.83
TPSA109.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

1-ethyl-3-[3-[4-(2-methyl-1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-5-pyridin-2-ylthiophen-2-yl]urea
CID 59373380
9-[1-(2-amino-5-phenylthiophene-3-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
CID 68665556
3,3-dimethyl-9-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylthiophene-3-carbonyl]piperidin-4-yl]-1-oxo-2-oxa-6,9-diazaspiro[4.5]decane-6-carboxylic acid
CID 91191853
benzyl 3,3-dimethyl-9-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylthiophene-3-carbonyl]piperidin-4-yl]-1-oxo-2-oxa-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 68666059
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 70780005
ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3700877
8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one
CID 57400701
[3-[4-(3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 59373310
9-[1-(2-amino-1-benzothiophene-3-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one;ethane
CID 143399259
[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 72924697
[4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97154394
[3-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]urea
CID 59279691

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione (CID 68666873) is 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione is CCN1C(=O)OC2(CCCN(C3CCN(C(=O)c4cc(-c5ccccn5)sc4N)CC3)C2)C1=O.
What is the InChIKey of 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is IWSRIDHQNFYZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-2-29-22(31)24(33-23(29)32)9-5-11-28(15-24)16-7-12-27(13-8-16)21(30)17-14-19(34-20(17)25)18-6-3-4-10-26-18/h3-4,6,10,14,16H,2,5,7-9,11-13,15,25H2,1H3.
What are the key properties of 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione?
9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 483.59 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2-amino-5-pyridin-2-ylthiophene-3-carbonyl)piperidin-4-yl]-3-ethyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 68666873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).