4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one

C25H26N4O3 — CID 24888717

IUPAC4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
SMILESO=C(c1ccc2c(c1)c1c(=O)[nH]ccc1c1nc(C3CCCC3)[nH]c21)N1CCC(O)CC1
InChIInChI=1S/C25H26N4O3/c30-16-8-11-29(12-9-16)25(32)15-5-6-17-19(13-15)20-18(7-10-26-24(20)31)22-21(17)27-23(28-22)14-3-1-2-4-14/h5-7,10,13-14,16,30H,1-4,8-9,11-12H2,(H,26,31)(H,27,28)
InChIKeyLYTPWVCVRYOXAX-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.81
Rot. Bonds2

About 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one

4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one (PubChem CID 24888717) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one.

Molecular Properties

Compound Name4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
PubChem CID24888717
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
SMILESO=C(c1ccc2c(c1)c1c(=O)[nH]ccc1c1nc(C3CCCC3)[nH]c21)N1CCC(O)CC1
InChIInChI=1S/C25H26N4O3/c30-16-8-11-29(12-9-16)25(32)15-5-6-17-19(13-15)20-18(7-10-26-24(20)31)22-21(17)27-23(28-22)14-3-1-2-4-14/h5-7,10,13-14,16,30H,1-4,8-9,11-12H2,(H,26,31)(H,27,28)
InChIKeyLYTPWVCVRYOXAX-UHFFFAOYSA-N
XLogP3.81
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
The IUPAC name of 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one (CID 24888717) is 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one.
What is the SMILES notation for 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
The canonical SMILES for 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one is O=C(c1ccc2c(c1)c1c(=O)[nH]ccc1c1nc(C3CCCC3)[nH]c21)N1CCC(O)CC1.
What is the InChIKey of 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
The InChIKey is LYTPWVCVRYOXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-16-8-11-29(12-9-16)25(32)15-5-6-17-19(13-15)20-18(7-10-26-24(20)31)22-21(17)27-23(28-22)14-3-1-2-4-14/h5-7,10,13-14,16,30H,1-4,8-9,11-12H2,(H,26,31)(H,27,28).
What are the key properties of 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one has a molecular weight of 430.51 g/mol, XLogP of 3.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-15-(4-hydroxypiperidine-1-carbonyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one is sourced from PubChem (CID 24888717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).