(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C18H25N3O3S — CID 124798787

IUPAC(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)[C@H]1COC2(CN(C(=O)Cc3ccsc3)C2)CN1CC1CC1
InChIInChI=1S/C18H25N3O3S/c1-19-17(23)15-8-24-18(10-20(15)7-13-2-3-13)11-21(12-18)16(22)6-14-4-5-25-9-14/h4-5,9,13,15H,2-3,6-8,10-12H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyBIUQZVNDGMDRAT-OAHLLOKOSA-N
MW363.48 g/mol
LogP0.73
Rot. Bonds5

About (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 124798787) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID124798787
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)[C@H]1COC2(CN(C(=O)Cc3ccsc3)C2)CN1CC1CC1
InChIInChI=1S/C18H25N3O3S/c1-19-17(23)15-8-24-18(10-20(15)7-13-2-3-13)11-21(12-18)16(22)6-14-4-5-25-9-14/h4-5,9,13,15H,2-3,6-8,10-12H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyBIUQZVNDGMDRAT-OAHLLOKOSA-N
XLogP0.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677509
(7R)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813777
(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813778
(7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124805485
2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 133143006
2-butanoyl-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693582
2-(cyclopentene-1-carbonyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131663319
(7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124801885
2-(cyclopentylmethyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677325
8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131661365
(7R)-8-(cyclopropylmethyl)-N-methyl-2-(5-methylpyridine-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124913569
1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
CID 164636350

Frequently Asked Questions

What is the IUPAC name of (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 124798787) is (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)[C@H]1COC2(CN(C(=O)Cc3ccsc3)C2)CN1CC1CC1.
What is the InChIKey of (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is BIUQZVNDGMDRAT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-19-17(23)15-8-24-18(10-20(15)7-13-2-3-13)11-21(12-18)16(22)6-14-4-5-25-9-14/h4-5,9,13,15H,2-3,6-8,10-12H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 124798787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).