3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene

C18H19N7 — CID 53341008

IUPAC3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESc1cncc(CN2CCC(n3[nH]nc4cnc5nccc5c43)CC2)c1
InChIInChI=1S/C18H19N7/c1-2-13(10-19-6-1)12-24-8-4-14(5-9-24)25-17-15-3-7-20-18(15)21-11-16(17)22-23-25/h1-3,6-7,10-11,14,23H,4-5,8-9,12H2
InChIKeyFMFJSHNQCAHLFP-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.54
Rot. Bonds3

About 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene

3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene (PubChem CID 53341008) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene.

Molecular Properties

Compound Name3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
PubChem CID53341008
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESc1cncc(CN2CCC(n3[nH]nc4cnc5nccc5c43)CC2)c1
InChIInChI=1S/C18H19N7/c1-2-13(10-19-6-1)12-24-8-4-14(5-9-24)25-17-15-3-7-20-18(15)21-11-16(17)22-23-25/h1-3,6-7,10-11,14,23H,4-5,8-9,12H2
InChIKeyFMFJSHNQCAHLFP-UHFFFAOYSA-N
XLogP2.54
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene with MolForge

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Related Compounds

[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methanol
CID 53341006
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 141455734
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
3-[[4-[2-[(1R)-1-phenylethyl]imidazol-1-yl]piperidin-1-yl]methyl]pyridine
CID 95552633
2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
CID 95809192

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The IUPAC name of 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene (CID 53341008) is 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene.
What is the SMILES notation for 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The canonical SMILES for 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene is c1cncc(CN2CCC(n3[nH]nc4cnc5nccc5c43)CC2)c1.
What is the InChIKey of 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The InChIKey is FMFJSHNQCAHLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-2-13(10-19-6-1)12-24-8-4-14(5-9-24)25-17-15-3-7-20-18(15)21-11-16(17)22-23-25/h1-3,6-7,10-11,14,23H,4-5,8-9,12H2.
What are the key properties of 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene has a molecular weight of 333.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene is sourced from PubChem (CID 53341008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).