4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

C27H38N8O4 — CID 71202177

IUPAC4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCC(C)C1CCC2(CC1)N=C(N1CCOCC1)C(=O)N2[C@H](CCO)c1ccc(C(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C27H38N8O4/c1-18(2)19-7-10-27(11-8-19)29-24(34-12-15-39-16-13-34)26(38)35(27)22(9-14-36)20-3-5-21(6-4-20)25(37)28-17-23-30-32-33-31-23/h3-6,18-19,22,36H,7-17H2,1-2H3,(H,28,37)(H,30,31,32,33)/t19?,22-,27?/m1/s1
InChIKeyCDAYPOFIEYTQCS-QLEGCBLDSA-N
MW538.65 g/mol
LogP1.67
Rot. Bonds8

About 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 71202177) has the molecular formula C27H38N8O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID71202177
Molecular FormulaC27H38N8O4
Molecular Weight538.65 g/mol
Exact Mass538.30
IUPAC Name4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCC(C)C1CCC2(CC1)N=C(N1CCOCC1)C(=O)N2[C@H](CCO)c1ccc(C(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C27H38N8O4/c1-18(2)19-7-10-27(11-8-19)29-24(34-12-15-39-16-13-34)26(38)35(27)22(9-14-36)20-3-5-21(6-4-20)25(37)28-17-23-30-32-33-31-23/h3-6,18-19,22,36H,7-17H2,1-2H3,(H,28,37)(H,30,31,32,33)/t19?,22-,27?/m1/s1
InChIKeyCDAYPOFIEYTQCS-QLEGCBLDSA-N
XLogP1.67
TPSA148.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.65
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 71202177) is 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is CC(C)C1CCC2(CC1)N=C(N1CCOCC1)C(=O)N2[C@H](CCO)c1ccc(C(=O)NCc2nn[nH]n2)cc1.
What is the InChIKey of 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is CDAYPOFIEYTQCS-QLEGCBLDSA-N. The full InChI is InChI=1S/C27H38N8O4/c1-18(2)19-7-10-27(11-8-19)29-24(34-12-15-39-16-13-34)26(38)35(27)22(9-14-36)20-3-5-21(6-4-20)25(37)28-17-23-30-32-33-31-23/h3-6,18-19,22,36H,7-17H2,1-2H3,(H,28,37)(H,30,31,32,33)/t19?,22-,27?/m1/s1.
What are the key properties of 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 538.65 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-3-hydroxy-1-(2-morpholin-4-yl-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 71202177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).