4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide

C21H23N3O4 — CID 109047737

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C21H23N3O4/c25-19(23-15-16-5-9-22-10-6-16)17-1-3-18(4-2-17)20(26)24-11-7-21(8-12-24)27-13-14-28-21/h1-6,9-10H,7-8,11-15H2,(H,23,25)
InChIKeyADYNTCKJRKGSDD-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.99
Rot. Bonds4

About 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 109047737) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID109047737
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C21H23N3O4/c25-19(23-15-16-5-9-22-10-6-16)17-1-3-18(4-2-17)20(26)24-11-7-21(8-12-24)27-13-14-28-21/h1-6,9-10H,7-8,11-15H2,(H,23,25)
InChIKeyADYNTCKJRKGSDD-UHFFFAOYSA-N
XLogP1.99
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-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

Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44902292
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109105272
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109044877
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085777
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109105514
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109156918
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 35371042
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide (CID 109047737) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ADYNTCKJRKGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-19(23-15-16-5-9-22-10-6-16)17-1-3-18(4-2-17)20(26)24-11-7-21(8-12-24)27-13-14-28-21/h1-6,9-10H,7-8,11-15H2,(H,23,25).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 381.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 109047737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).