N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

C17H24N4O3S — CID 162633332

IUPACN-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C17H24N4O3S/c22-15(19-6-8-21-9-7-20-16(21)23)13-11-12-1-10-24-17(14(12)25-13)2-4-18-5-3-17/h11,18H,1-10H2,(H,19,22)(H,20,23)
InChIKeyLPWIUMRMAWPGLR-UHFFFAOYSA-N
MW364.47 g/mol
LogP0.65
Rot. Bonds4

About N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (PubChem CID 162633332) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
PubChem CID162633332
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C17H24N4O3S/c22-15(19-6-8-21-9-7-20-16(21)23)13-11-12-1-10-24-17(14(12)25-13)2-4-18-5-3-17/h11,18H,1-10H2,(H,19,22)(H,20,23)
InChIKeyLPWIUMRMAWPGLR-UHFFFAOYSA-N
XLogP0.65
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634817
N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162630738
N-[(4-ethylsulfonylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 135318412
N-[(3-methylsulfanylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162628233
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634696
1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride
CID 154922676
8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 163315179
N-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 163306765
1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506139
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone
CID 164699150
1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 169417775
1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506403

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (CID 162633332) is N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is O=C(NCCN1CCNC1=O)c1cc2c(s1)C1(CCNCC1)OCC2.
What is the InChIKey of N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The InChIKey is LPWIUMRMAWPGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c22-15(19-6-8-21-9-7-20-16(21)23)13-11-12-1-10-24-17(14(12)25-13)2-4-18-5-3-17/h11,18H,1-10H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 162633332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).