[3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid

C25H33N5O4S — CID 68664637

IUPAC[3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
SMILESCC(C)N1CCC2(CCCN(C3CCN(C(=O)c4c(NC(=O)O)sc5ncccc45)CC3)C2)C1=O
InChIInChI=1S/C25H33N5O4S/c1-16(2)30-14-9-25(23(30)32)8-4-11-29(15-25)17-6-12-28(13-7-17)22(31)19-18-5-3-10-26-20(18)35-21(19)27-24(33)34/h3,5,10,16-17,27H,4,6-9,11-15H2,1-2H3,(H,33,34)
InChIKeyFSHOSZGUDDDIBD-UHFFFAOYSA-N
MW499.64 g/mol
LogP3.71
Rot. Bonds4

About [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid

[3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid (PubChem CID 68664637) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
PubChem CID68664637
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC Name[3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
SMILESCC(C)N1CCC2(CCCN(C3CCN(C(=O)c4c(NC(=O)O)sc5ncccc45)CC3)C2)C1=O
InChIInChI=1S/C25H33N5O4S/c1-16(2)30-14-9-25(23(30)32)8-4-11-29(15-25)17-6-12-28(13-7-17)22(31)19-18-5-3-10-26-20(18)35-21(19)27-24(33)34/h3,5,10,16-17,27H,4,6-9,11-15H2,1-2H3,(H,33,34)
InChIKeyFSHOSZGUDDDIBD-UHFFFAOYSA-N
XLogP3.71
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid with MolForge

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Related Compounds

[6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
CID 68666227
1-ethyl-3-[3-[4-(2-methyl-4-oxo-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]urea
CID 24957449
[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
3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 143727208
tert-butyl N-[6-methyl-3-[4-(2-methyl-4-oxo-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamate
CID 59279665
tert-butyl N-[3-[4-(1,3-dioxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-5,6-dimethylthieno[2,3-b]pyridin-2-yl]carbamate
CID 59279771
1-[1-[6-methyl-2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-yl-3-sulfanylpiperidine-3-carboxamide
CID 143727204
9-[1-(2-amino-6-methylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59279757
8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one
CID 57400701
3,3-dimethyl-9-[1-[2-(methylamino)-1-benzothiophene-3-carbonyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-1-one;molecular hydrogen
CID 177055059
[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
1-[3-[4-(1,3-dioxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-7-oxo-5,6-dihydro-4H-1-benzothiophen-2-yl]-3-propan-2-ylurea
CID 59373298

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid?
The IUPAC name of [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid (CID 68664637) is [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid.
What is the SMILES notation for [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid?
The canonical SMILES for [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid is CC(C)N1CCC2(CCCN(C3CCN(C(=O)c4c(NC(=O)O)sc5ncccc45)CC3)C2)C1=O.
What is the InChIKey of [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid?
The InChIKey is FSHOSZGUDDDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-16(2)30-14-9-25(23(30)32)8-4-11-29(15-25)17-6-12-28(13-7-17)22(31)19-18-5-3-10-26-20(18)35-21(19)27-24(33)34/h3,5,10,16-17,27H,4,6-9,11-15H2,1-2H3,(H,33,34).
What are the key properties of [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid?
[3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid has a molecular weight of 499.64 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid is sourced from PubChem (CID 68664637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).