N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

C22H23N3O — CID 25154868

IUPACN-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
InChIKeyBIODYGOZWZNCAG-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.72
Rot. Bonds3

About N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 25154868) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
PubChem CID25154868
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
InChIKeyBIODYGOZWZNCAG-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide (CID 25154868) is N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1.
What is the InChIKey of N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is BIODYGOZWZNCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26).
What are the key properties of N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 25154868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).