N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide

C25H27N3O — CID 10715131

IUPACN-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1c[nH]c2c1CCc1ccccc1-2
InChIInChI=1S/C25H27N3O/c29-25(23-16-26-24-21-9-5-4-8-19(21)10-11-22(23)24)27-20-12-14-28(15-13-20)17-18-6-2-1-3-7-18/h1-9,16,20,26H,10-15,17H2,(H,27,29)
InChIKeyYBPUXAQDHOGGJG-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.17
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide

N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide (PubChem CID 10715131) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide
PubChem CID10715131
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1c[nH]c2c1CCc1ccccc1-2
InChIInChI=1S/C25H27N3O/c29-25(23-16-26-24-21-9-5-4-8-19(21)10-11-22(23)24)27-20-12-14-28(15-13-20)17-18-6-2-1-3-7-18/h1-9,16,20,26H,10-15,17H2,(H,27,29)
InChIKeyYBPUXAQDHOGGJG-UHFFFAOYSA-N
XLogP4.17
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide (CID 10715131) is N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1c[nH]c2c1CCc1ccccc1-2.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide?
The InChIKey is YBPUXAQDHOGGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(23-16-26-24-21-9-5-4-8-19(21)10-11-22(23)24)27-20-12-14-28(15-13-20)17-18-6-2-1-3-7-18/h1-9,16,20,26H,10-15,17H2,(H,27,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide is sourced from PubChem (CID 10715131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).