(4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone

C26H38N6O — CID 70880999

IUPAC(4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2c3c(nc4ccnn24)CNCC3)C1)N1CCC(C2CCCCC2)CC1
InChIInChI=1S/C26H38N6O/c33-26(30-15-10-20(11-16-30)19-5-2-1-3-6-19)21-7-4-14-31(18-21)25-22-8-12-27-17-23(22)29-24-9-13-28-32(24)25/h9,13,19-21,27H,1-8,10-12,14-18H2
InChIKeyZFLKWWYINLPWKL-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.41
Rot. Bonds3

About (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone

(4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone (PubChem CID 70880999) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone
PubChem CID70880999
Molecular FormulaC26H38N6O
Molecular Weight450.63 g/mol
Exact Mass450.31
IUPAC Name(4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2c3c(nc4ccnn24)CNCC3)C1)N1CCC(C2CCCCC2)CC1
InChIInChI=1S/C26H38N6O/c33-26(30-15-10-20(11-16-30)19-5-2-1-3-6-19)21-7-4-14-31(18-21)25-22-8-12-27-17-23(22)29-24-9-13-28-32(24)25/h9,13,19-21,27H,1-8,10-12,14-18H2
InChIKeyZFLKWWYINLPWKL-UHFFFAOYSA-N
XLogP3.41
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone
CID 77453009
(3S)-N-methyl-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)pyrrolidine-3-carboxamide
CID 70880884
8-(3-carboxyazetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylic acid
CID 123775006
N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide
CID 70881010
(3-ethynylpyrrolidin-1-yl)-[1-(12-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone
CID 86667179
[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95723617
piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797898
[1-(4-methyl-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 70880935
N-[(4-aminophenyl)methyl]-N-methyl-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide
CID 91287950
1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56870477
(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134798658
(3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 95714707

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone?
The IUPAC name of (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone (CID 70880999) is (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone is O=C(C1CCCN(c2c3c(nc4ccnn24)CNCC3)C1)N1CCC(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone?
The InChIKey is ZFLKWWYINLPWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O/c33-26(30-15-10-20(11-16-30)19-5-2-1-3-6-19)21-7-4-14-31(18-21)25-22-8-12-27-17-23(22)29-24-9-13-28-32(24)25/h9,13,19-21,27H,1-8,10-12,14-18H2.
What are the key properties of (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone?
(4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone has a molecular weight of 450.63 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 70880999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).