N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride

C28H32Cl2N4O3 — CID 69430640

IUPACN-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCC(CN(C)c3ccncc3)CC2)c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C28H31ClN4O3.ClH/c1-31(23-11-15-30-16-12-23)19-21-13-17-32(18-14-21)27(34)20-33(26-6-4-3-5-25(26)29)28(35)22-7-9-24(36-2)10-8-22;/h3-12,15-16,21H,13-14,17-20H2,1-2H3;1H
InChIKeyAHXHLYORHCRHAA-UHFFFAOYSA-N
MW543.50 g/mol
LogP5.19
Rot. Bonds8

About N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride

N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 69430640) has the molecular formula C28H32Cl2N4O3 and a molecular weight of 543.50 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
PubChem CID69430640
Molecular FormulaC28H32Cl2N4O3
Molecular Weight543.50 g/mol
Exact Mass542.19
IUPAC NameN-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCC(CN(C)c3ccncc3)CC2)c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C28H31ClN4O3.ClH/c1-31(23-11-15-30-16-12-23)19-21-13-17-32(18-14-21)27(34)20-33(26-6-4-3-5-25(26)29)28(35)22-7-9-24(36-2)10-8-22;/h3-12,15-16,21H,13-14,17-20H2,1-2H3;1H
InChIKeyAHXHLYORHCRHAA-UHFFFAOYSA-N
XLogP5.19
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.50
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 22570010
4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide
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1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone
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CID 141371316
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CID 113171182
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CID 113171118
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 51171015
4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 69141376
1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119374647
N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride (CID 69430640) is N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride is COc1ccc(C(=O)N(CC(=O)N2CCC(CN(C)c3ccncc3)CC2)c2ccccc2Cl)cc1.Cl.
What is the InChIKey of N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is AHXHLYORHCRHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O3.ClH/c1-31(23-11-15-30-16-12-23)19-21-13-17-32(18-14-21)27(34)20-33(26-6-4-3-5-25(26)29)28(35)22-7-9-24(36-2)10-8-22;/h3-12,15-16,21H,13-14,17-20H2,1-2H3;1H.
What are the key properties of N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 543.50 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 69430640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).