N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide

C24H27N3O — CID 122188776

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C24H27N3O/c28-24(23-11-10-21-8-4-5-9-22(21)26-23)25-14-17-27-15-12-20(13-16-27)18-19-6-2-1-3-7-19/h1-11,20H,12-18H2,(H,25,28)
InChIKeyDHGQDGVOFHPDSG-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.92
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide (PubChem CID 122188776) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide
PubChem CID122188776
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C24H27N3O/c28-24(23-11-10-21-8-4-5-9-22(21)26-23)25-14-17-27-15-12-20(13-16-27)18-19-6-2-1-3-7-19/h1-11,20H,12-18H2,(H,25,28)
InChIKeyDHGQDGVOFHPDSG-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide (CID 122188776) is N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide is O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is DHGQDGVOFHPDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c28-24(23-11-10-21-8-4-5-9-22(21)26-23)25-14-17-27-15-12-20(13-16-27)18-19-6-2-1-3-7-19/h1-11,20H,12-18H2,(H,25,28).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 122188776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).