1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide

C23H29N5O2 — CID 20953917

IUPAC1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)c2[nH]nc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C23H29N5O2/c24-22(30)23(28-12-4-1-5-13-28)10-14-27(15-11-23)21(29)20-18-9-8-16-6-2-3-7-17(16)19(18)25-26-20/h2-3,6-7H,1,4-5,8-15H2,(H2,24,30)(H,25,26)
InChIKeyFAJUEZQQYYALQC-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.12
Rot. Bonds3

About 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide

1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 20953917) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID20953917
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)c2[nH]nc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C23H29N5O2/c24-22(30)23(28-12-4-1-5-13-28)10-14-27(15-11-23)21(29)20-18-9-8-16-6-2-3-7-17(16)19(18)25-26-20/h2-3,6-7H,1,4-5,8-15H2,(H2,24,30)(H,25,26)
InChIKeyFAJUEZQQYYALQC-UHFFFAOYSA-N
XLogP2.12
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide (CID 20953917) is 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(C(=O)c2[nH]nc3c2CCc2ccccc2-3)CC1.
What is the InChIKey of 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is FAJUEZQQYYALQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c24-22(30)23(28-12-4-1-5-13-28)10-14-27(15-11-23)21(29)20-18-9-8-16-6-2-3-7-17(16)19(18)25-26-20/h2-3,6-7H,1,4-5,8-15H2,(H2,24,30)(H,25,26).
What are the key properties of 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 20953917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).