N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide

C22H25N5O — CID 91818427

IUPACN-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H25N5O/c28-22(20-13-15-5-1-3-7-18(15)24-20)23-17-9-11-27(12-10-17)21-14-16-6-2-4-8-19(16)25-26-21/h1,3,5,7,13-14,17,24H,2,4,6,8-12H2,(H,23,28)
InChIKeyXWTJHBIQJPIORR-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.24
Rot. Bonds3

About N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide

N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 91818427) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID91818427
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H25N5O/c28-22(20-13-15-5-1-3-7-18(15)24-20)23-17-9-11-27(12-10-17)21-14-16-6-2-4-8-19(16)25-26-21/h1,3,5,7,13-14,17,24H,2,4,6,8-12H2,(H,23,28)
InChIKeyXWTJHBIQJPIORR-UHFFFAOYSA-N
XLogP3.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide (CID 91818427) is N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide is O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is XWTJHBIQJPIORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22(20-13-15-5-1-3-7-18(15)24-20)23-17-9-11-27(12-10-17)21-14-16-6-2-4-8-19(16)25-26-21/h1,3,5,7,13-14,17,24H,2,4,6,8-12H2,(H,23,28).
What are the key properties of N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide?
N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91818427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).