4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one

C19H26N6O — CID 155209060

IUPAC4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
SMILESO=C1NCC2(CCCCC2)n2c1cc1cnc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C19H26N6O/c26-17-15-9-13-10-21-18(23-14-5-4-8-20-11-14)24-16(13)25(15)19(12-22-17)6-2-1-3-7-19/h9-10,14,20H,1-8,11-12H2,(H,22,26)(H,21,23,24)/t14-/m1/s1
InChIKeyCKHIZQNMQHAYEH-CQSZACIVSA-N
MW354.46 g/mol
LogP2.00
Rot. Bonds2

About 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one

4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one (PubChem CID 155209060) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one.

Molecular Properties

Compound Name4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
PubChem CID155209060
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
SMILESO=C1NCC2(CCCCC2)n2c1cc1cnc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C19H26N6O/c26-17-15-9-13-10-21-18(23-14-5-4-8-20-11-14)24-16(13)25(15)19(12-22-17)6-2-1-3-7-19/h9-10,14,20H,1-8,11-12H2,(H,22,26)(H,21,23,24)/t14-/m1/s1
InChIKeyCKHIZQNMQHAYEH-CQSZACIVSA-N
XLogP2.00
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
The IUPAC name of 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one (CID 155209060) is 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one.
What is the SMILES notation for 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
The canonical SMILES for 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one is O=C1NCC2(CCCCC2)n2c1cc1cnc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
The InChIKey is CKHIZQNMQHAYEH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N6O/c26-17-15-9-13-10-21-18(23-14-5-4-8-20-11-14)24-16(13)25(15)19(12-22-17)6-2-1-3-7-19/h9-10,14,20H,1-8,11-12H2,(H,22,26)(H,21,23,24)/t14-/m1/s1.
What are the key properties of 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one has a molecular weight of 354.46 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one is sourced from PubChem (CID 155209060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).