1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide

C23H25ClN4O2 — CID 122196526

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(Cl)cc4)CC3)c2n1
InChIInChI=1S/C23H25ClN4O2/c1-30-21-7-6-19-22(27-21)20(8-12-25-19)26-23(29)17-10-14-28(15-11-17)13-9-16-2-4-18(24)5-3-16/h2-8,12,17H,9-11,13-15H2,1H3,(H,25,26,29)
InChIKeyLBEJUQWGEGOTNX-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.18
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide (PubChem CID 122196526) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
PubChem CID122196526
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(Cl)cc4)CC3)c2n1
InChIInChI=1S/C23H25ClN4O2/c1-30-21-7-6-19-22(27-21)20(8-12-25-19)26-23(29)17-10-14-28(15-11-17)13-9-16-2-4-18(24)5-3-16/h2-8,12,17H,9-11,13-15H2,1H3,(H,25,26,29)
InChIKeyLBEJUQWGEGOTNX-UHFFFAOYSA-N
XLogP4.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 154685085
Azacrin
CID 193196
N-[(4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 154685076
N-[3-[(7-chloroquinolin-4-yl)amino]-5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-piperidin-1-ylacetamide
CID 11814123
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-phenoxybutanamide
CID 44428939
N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 44531886
N-(7-chloro-2-methoxy-benzo[b][1,5]naphthyridin-10-yl)-N'-[3-(1-piperidyl)propyl]acetamidine
CID 118735360
N-(7-chloro-2-methoxy-benzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-[3-(1-piperidyl)propyl]propanamidine
CID 118735499
N-(7-chloro-2-methoxy-benzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboxamidine
CID 118735504
1-(5-Chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea
CID 162655109
NBTIs-IN-5
CID 163408985
N-(6-Methoxy-1,5-naphthyridin-4-yl)-1-(4-(trifluoromethyl)phenethyl)piperidine-4-carboxamide
CID 163408986

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide (CID 122196526) is 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide is COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(Cl)cc4)CC3)c2n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
The InChIKey is LBEJUQWGEGOTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-30-21-7-6-19-22(27-21)20(8-12-25-19)26-23(29)17-10-14-28(15-11-17)13-9-16-2-4-18(24)5-3-16/h2-8,12,17H,9-11,13-15H2,1H3,(H,25,26,29).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 122196526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).