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

C24H26N4O — CID 175113669

IUPACN-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide
SMILESO=C(NN=CCC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C24H26N4O/c29-24(23-11-10-21-8-4-5-9-22(21)26-23)27-25-15-12-19-13-16-28(17-14-19)18-20-6-2-1-3-7-20/h1-11,15,19H,12-14,16-18H2,(H,27,29)
InChIKeyTYBIQZQQSFMSMP-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.25
Rot. Bonds6

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

N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide (PubChem CID 175113669) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide
PubChem CID175113669
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide
SMILESO=C(NN=CCC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C24H26N4O/c29-24(23-11-10-21-8-4-5-9-22(21)26-23)27-25-15-12-19-13-16-28(17-14-19)18-20-6-2-1-3-7-20/h1-11,15,19H,12-14,16-18H2,(H,27,29)
InChIKeyTYBIQZQQSFMSMP-UHFFFAOYSA-N
XLogP4.25
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide
CID 155674228
N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide
CID 177489963
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087
N-[(2S)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 70082091
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide
CID 71795002
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
CID 16547092
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-[(E)-pyridin-4-ylmethylideneamino]quinoline-2-carboxamide
CID 6906634
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide
CID 155674276
N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide
CID 19762442

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide (CID 175113669) is N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide is O=C(NN=CCC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide?
The InChIKey is TYBIQZQQSFMSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(23-11-10-21-8-4-5-9-22(21)26-23)27-25-15-12-19-13-16-28(17-14-19)18-20-6-2-1-3-7-20/h1-11,15,19H,12-14,16-18H2,(H,27,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 175113669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).