4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone

C18H27N5O — CID 119747100

IUPAC4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27N5O/c24-18(17-11-23(21-20-17)15-1-3-19-4-2-15)22-10-14-6-12-5-13(7-14)9-16(22)8-12/h11-16,19H,1-10H2
InChIKeyZJTOLYDLJMNZDR-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.85
Rot. Bonds2

About 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone

4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119747100) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119747100
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27N5O/c24-18(17-11-23(21-20-17)15-1-3-19-4-2-15)22-10-14-6-12-5-13(7-14)9-16(22)8-12/h11-16,19H,1-10H2
InChIKeyZJTOLYDLJMNZDR-UHFFFAOYSA-N
XLogP1.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone with MolForge

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Related Compounds

1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119790919
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119893301
[3-(2-methylpropoxy)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119821796
(2-phenylazepan-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119737784
[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843240
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843532
(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119774179
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119843531

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119747100) is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone is O=C(c1cn(C2CCNCC2)nn1)N1CC2CC3CC(C2)CC1C3.
What is the InChIKey of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is ZJTOLYDLJMNZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c24-18(17-11-23(21-20-17)15-1-3-19-4-2-15)22-10-14-6-12-5-13(7-14)9-16(22)8-12/h11-16,19H,1-10H2.
What are the key properties of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone?
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 329.45 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119747100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).