1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

C24H31N5O3 — CID 92550581

IUPAC1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)CN2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C24H31N5O3/c1-16(30)26-21-14-19-4-2-3-5-20(19)27-23(21)17-8-12-29(13-9-17)22(31)15-28-10-6-18(7-11-28)24(25)32/h2-5,14,17-18H,6-13,15H2,1H3,(H2,25,32)(H,26,30)
InChIKeyROSLYPBYEHSHJQ-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.10
Rot. Bonds5

About 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 92550581) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID92550581
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)CN2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C24H31N5O3/c1-16(30)26-21-14-19-4-2-3-5-20(19)27-23(21)17-8-12-29(13-9-17)22(31)15-28-10-6-18(7-11-28)24(25)32/h2-5,14,17-18H,6-13,15H2,1H3,(H2,25,32)(H,26,30)
InChIKeyROSLYPBYEHSHJQ-UHFFFAOYSA-N
XLogP2.10
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide
CID 92550579
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583939
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one
CID 110221652
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 92638010
1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide
CID 32978761
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 16909259
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide
CID 46356950
1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 155983027
1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 92616712
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 92550581) is 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)CN2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is ROSLYPBYEHSHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16(30)26-21-14-19-4-2-3-5-20(19)27-23(21)17-8-12-29(13-9-17)22(31)15-28-10-6-18(7-11-28)24(25)32/h2-5,14,17-18H,6-13,15H2,1H3,(H2,25,32)(H,26,30).
What are the key properties of 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 92550581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).