N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

C22H29N5O2 — CID 175650634

IUPACN-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H29N5O2/c1-24-15-18(14-23-24)22(29)25(2)19-9-12-26(13-10-19)16-21(28)27-11-5-7-17-6-3-4-8-20(17)27/h3-4,6,8,14-15,19H,5,7,9-13,16H2,1-2H3
InChIKeyAOLGGBVLMRFKPH-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.94
Rot. Bonds4

About N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 175650634) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID175650634
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H29N5O2/c1-24-15-18(14-23-24)22(29)25(2)19-9-12-26(13-10-19)16-21(28)27-11-5-7-17-6-3-4-8-20(17)27/h3-4,6,8,14-15,19H,5,7,9-13,16H2,1-2H3
InChIKeyAOLGGBVLMRFKPH-UHFFFAOYSA-N
XLogP1.94
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 171327367
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172881823
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 165433433
N,1-dimethyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648257
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119928044
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781241
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 50963546
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650040

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 175650634) is N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCN(CC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is AOLGGBVLMRFKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-24-15-18(14-23-24)22(29)25(2)19-9-12-26(13-10-19)16-21(28)27-11-5-7-17-6-3-4-8-20(17)27/h3-4,6,8,14-15,19H,5,7,9-13,16H2,1-2H3.
What are the key properties of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175650634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).