(5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C19H26N4O3S — CID 97491354

IUPAC(5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCCN1CCCC1)C1=NO[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1
InChIInChI=1S/C19H26N4O3S/c24-17(11-15-3-10-27-13-15)23-8-4-19(14-23)12-16(21-26-19)18(25)20-5-9-22-6-1-2-7-22/h3,10,13H,1-2,4-9,11-12,14H2,(H,20,25)/t19-/m1/s1
InChIKeyKDMQNEUEXDZNOL-LJQANCHMSA-N
MW390.51 g/mol
LogP1.25
Rot. Bonds6

About (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491354) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491354
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCCN1CCCC1)C1=NO[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1
InChIInChI=1S/C19H26N4O3S/c24-17(11-15-3-10-27-13-15)23-8-4-19(14-23)12-16(21-26-19)18(25)20-5-9-22-6-1-2-7-22/h3,10,13H,1-2,4-9,11-12,14H2,(H,20,25)/t19-/m1/s1
InChIKeyKDMQNEUEXDZNOL-LJQANCHMSA-N
XLogP1.25
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(3,5-dimethylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131640537
(5S)-N-(2-morpholin-4-ylethyl)-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491465
(5S)-N-(pyridin-4-ylmethyl)-9-(2-thiophen-2-ylacetyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97396100
7-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131644328
1-(2-piperidin-1-ylethyl)-3-(thiophen-3-ylmethyl)urea
CID 47247061
(5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491622
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
N-(pyridin-4-ylmethyl)-9-(2-thiophen-2-ylacetyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155842427
9-[2-(4-methylphenyl)acetyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131651426
(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
(5S)-7-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491451

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491354) is (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCCN1CCCC1)C1=NO[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1.
What is the InChIKey of (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is KDMQNEUEXDZNOL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O3S/c24-17(11-15-3-10-27-13-15)23-8-4-19(14-23)12-16(21-26-19)18(25)20-5-9-22-6-1-2-7-22/h3,10,13H,1-2,4-9,11-12,14H2,(H,20,25)/t19-/m1/s1.
What are the key properties of (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-pyrrolidin-1-ylethyl)-7-(2-thiophen-3-ylacetyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).