N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide

C18H29N3O — CID 166252372

IUPACN-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide
SMILESO=C(NCC12CCC(CC1)C2)N1CC2CCC1C1CNCC21
InChIInChI=1S/C18H29N3O/c22-17(20-11-18-5-3-12(7-18)4-6-18)21-10-13-1-2-16(21)15-9-19-8-14(13)15/h12-16,19H,1-11H2,(H,20,22)
InChIKeyMXUQGRRQZUYQKO-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.21
Rot. Bonds2

About N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide

N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide (PubChem CID 166252372) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide
PubChem CID166252372
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide
SMILESO=C(NCC12CCC(CC1)C2)N1CC2CCC1C1CNCC21
InChIInChI=1S/C18H29N3O/c22-17(20-11-18-5-3-12(7-18)4-6-18)21-10-13-1-2-16(21)15-9-19-8-14(13)15/h12-16,19H,1-11H2,(H,20,22)
InChIKeyMXUQGRRQZUYQKO-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide 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

1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone
CID 131631975
1-[(1S,2S,6S,7S)-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl]-2-phenylethanone
CID 125455519
N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
CID 108870375
1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113399340
(3R,3aS,7aR)-N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 100898647
(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543593
2-cyclopropyl-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66208410
(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
CID 131034211
N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525096
(3S,4S)-4-cyclopropyl-1-[(4-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 146142170
4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one
CID 66209861
methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 83848928

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide?
The IUPAC name of N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide (CID 166252372) is N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide.
What is the SMILES notation for N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide?
The canonical SMILES for N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide is O=C(NCC12CCC(CC1)C2)N1CC2CCC1C1CNCC21.
What is the InChIKey of N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide?
The InChIKey is MXUQGRRQZUYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c22-17(20-11-18-5-3-12(7-18)4-6-18)21-10-13-1-2-16(21)15-9-19-8-14(13)15/h12-16,19H,1-11H2,(H,20,22).
What are the key properties of N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide?
N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide is sourced from PubChem (CID 166252372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).