5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

C25H35N5O2 — CID 92567762

IUPAC5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESO=C(C1CCCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)CN(C2CCCC2)CC4)CC1
InChIInChI=1S/C25H35N5O2/c31-24(18-5-1-2-6-18)28-12-9-17(10-13-28)22-15-23-26-21-11-14-29(19-7-3-4-8-19)16-20(21)25(32)30(23)27-22/h15,17-19,27H,1-14,16H2
InChIKeyUVKAFGLQTZWFBB-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.22
Rot. Bonds3

About 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (PubChem CID 92567762) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one.

Molecular Properties

Compound Name5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
PubChem CID92567762
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESO=C(C1CCCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)CN(C2CCCC2)CC4)CC1
InChIInChI=1S/C25H35N5O2/c31-24(18-5-1-2-6-18)28-12-9-17(10-13-28)22-15-23-26-21-11-14-29(19-7-3-4-8-19)16-20(21)25(32)30(23)27-22/h15,17-19,27H,1-14,16H2
InChIKeyUVKAFGLQTZWFBB-UHFFFAOYSA-N
XLogP3.22
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one with MolForge

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Related Compounds

5-[1-(cyclobutanecarbonyl)piperidin-3-yl]-11-(oxan-4-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 110227096
5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 92579350
11-(cyclobutanecarbonyl)-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 110229203
5-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 92579324
5-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-11-(cyclopropanecarbonyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 110227312
11-(cyclobutanecarbonyl)-5-[(2S)-1-propanoylpiperidin-2-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98083442
11-(cyclopropanecarbonyl)-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98079494
11-propanoyl-5-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98132450
5-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-11-(pyridin-4-ylmethyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98079843
5-[1-(2-ethylbutanoyl)piperidin-4-yl]-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 95849584
5-[1-(cyclohexylmethyl)piperidin-4-yl]-11-(2-methylpropanoyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98079515
11-(cyclopropanecarbonyl)-5-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98079945

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The IUPAC name of 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (CID 92567762) is 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one.
What is the SMILES notation for 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The canonical SMILES for 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one is O=C(C1CCCC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)CN(C2CCCC2)CC4)CC1.
What is the InChIKey of 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The InChIKey is UVKAFGLQTZWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c31-24(18-5-1-2-6-18)28-12-9-17(10-13-28)22-15-23-26-21-11-14-29(19-7-3-4-8-19)16-20(21)25(32)30(23)27-22/h15,17-19,27H,1-14,16H2.
What are the key properties of 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one has a molecular weight of 437.59 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-11-cyclopentyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one is sourced from PubChem (CID 92567762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).