4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide

C15H21N3O — CID 152830437

IUPAC4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CC3(CCNC3)C2)cc1
InChIInChI=1S/C15H21N3O/c1-16-14(19)11-2-4-12(5-3-11)18-13-8-15(9-13)6-7-17-10-15/h2-5,13,17-18H,6-10H2,1H3,(H,16,19)
InChIKeySWCKIKQDQFSOQQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.60
Rot. Bonds3

About 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide

4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide (PubChem CID 152830437) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide.

Molecular Properties

Compound Name4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide
PubChem CID152830437
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CC3(CCNC3)C2)cc1
InChIInChI=1S/C15H21N3O/c1-16-14(19)11-2-4-12(5-3-11)18-13-8-15(9-13)6-7-17-10-15/h2-5,13,17-18H,6-10H2,1H3,(H,16,19)
InChIKeySWCKIKQDQFSOQQ-UHFFFAOYSA-N
XLogP1.60
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide
CID 152949444
2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide
CID 149127001
4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide
CID 164823975
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate
CID 171922421
4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
CID 80559709
N-methyl-4-(thian-4-ylamino)benzamide
CID 43683708
4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
CID 43683594
3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817145
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide?
The IUPAC name of 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide (CID 152830437) is 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide.
What is the SMILES notation for 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide?
The canonical SMILES for 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide is CNC(=O)c1ccc(NC2CC3(CCNC3)C2)cc1.
What is the InChIKey of 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide?
The InChIKey is SWCKIKQDQFSOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-14(19)11-2-4-12(5-3-11)18-13-8-15(9-13)6-7-17-10-15/h2-5,13,17-18H,6-10H2,1H3,(H,16,19).
What are the key properties of 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide?
4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide has a molecular weight of 259.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide is sourced from PubChem (CID 152830437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).