1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea

C25H33N5O3S — CID 59373441

IUPAC1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
SMILESCCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(CCNC3=O)C2)CC1
InChIInChI=1S/C25H33N5O3S/c1-2-26-24(33)28-21-20(18-6-3-4-7-19(18)34-21)22(31)29-14-8-17(9-15-29)30-13-5-10-25(16-30)11-12-27-23(25)32/h3-4,6-7,17H,2,5,8-16H2,1H3,(H,27,32)(H2,26,28,33)
InChIKeyDWNZWIZWHMBJCI-UHFFFAOYSA-N
MW483.64 g/mol
LogP3.25
Rot. Bonds4

About 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea

1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea (PubChem CID 59373441) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
PubChem CID59373441
Molecular FormulaC25H33N5O3S
Molecular Weight483.64 g/mol
Exact Mass483.23
IUPAC Name1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
SMILESCCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(CCNC3=O)C2)CC1
InChIInChI=1S/C25H33N5O3S/c1-2-26-24(33)28-21-20(18-6-3-4-7-19(18)34-21)22(31)29-14-8-17(9-15-29)30-13-5-10-25(16-30)11-12-27-23(25)32/h3-4,6-7,17H,2,5,8-16H2,1H3,(H,27,32)(H2,26,28,33)
InChIKeyDWNZWIZWHMBJCI-UHFFFAOYSA-N
XLogP3.25
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea 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

2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
1-[3-({4-[(5s)-3,3-Dimethyl-1-Oxo-2-Oxa-7-Azaspiro[4.5]dec-7-Yl]piperidin-1-Yl}carbonyl)-1-Benzothiophen-2-Yl]-3-Ethylurea
CID 53384658
2-(3-methylthiophen-2-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
CID 658850
(S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(4-(piperidine-1-carbonyl)phenyl)thiophen-2-yl)urea
CID 11236402
N-(3-{[4-(3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl)piperidin-1-yl]carbonyl}-1-benzothien-2-yl)-N'-ethylurea
CID 16049279
1-Ethyl-3-[3-[4-(2-ethyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 16049349
[3-[4-(2-Ethyl-1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 16049419
1-Ethyl-3-[3-[4-(3-ethyl-2,4-dioxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 16049420
N-(3-{[4-(2-isopropyl-1-oxo-2,7-diazaspiro[4.5]dec-7-yl)piperidin-1-yl]carbonyl}-1-benzothien-2-yl)-N'-methylurea
CID 16049422
[3-[4-(3-Ethyl-2,4-dioxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 16049424
1-[3-[4-(2,3-Dimethyl-1,4-dioxo-2,3,9-triazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]-3-ethylurea
CID 44199807
1-[3-[4-(2,3-Diethyl-1,4-dioxo-2,3,9-triazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]-3-methylurea
CID 44199810

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea?
The IUPAC name of 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea (CID 59373441) is 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea is CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(CCNC3=O)C2)CC1.
What is the InChIKey of 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea?
The InChIKey is DWNZWIZWHMBJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-2-26-24(33)28-21-20(18-6-3-4-7-19(18)34-21)22(31)29-14-8-17(9-15-29)30-13-5-10-25(16-30)11-12-27-23(25)32/h3-4,6-7,17H,2,5,8-16H2,1H3,(H,27,32)(H2,26,28,33).
What are the key properties of 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea?
1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea has a molecular weight of 483.64 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[4-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea is sourced from PubChem (CID 59373441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).