6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one

C17H26N4O2 — CID 127970694

IUPAC6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCCC1CC(C(=O)N2CCCCC2c2cnn(C)c2)CC(=O)N1
InChIInChI=1S/C17H26N4O2/c1-3-14-8-12(9-16(22)19-14)17(23)21-7-5-4-6-15(21)13-10-18-20(2)11-13/h10-12,14-15H,3-9H2,1-2H3,(H,19,22)
InChIKeyKZWCKJQZVQRKLY-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.78
Rot. Bonds3

About 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one

6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 127970694) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID127970694
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCCC1CC(C(=O)N2CCCCC2c2cnn(C)c2)CC(=O)N1
InChIInChI=1S/C17H26N4O2/c1-3-14-8-12(9-16(22)19-14)17(23)21-7-5-4-6-15(21)13-10-18-20(2)11-13/h10-12,14-15H,3-9H2,1-2H3,(H,19,22)
InChIKeyKZWCKJQZVQRKLY-UHFFFAOYSA-N
XLogP1.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164143
(4aS*,8aR*)-6-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(piperidin-4-ylmethyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56908199
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
Cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84587817
N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
CID 118739346
N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118739348
8-(Cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744096
rac-(5R,6S)-5-amino-6-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 75525015
(3R*,5S*)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72849017
(4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
CID 75411797
(5S)-5-amino-6-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 71755430

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one (CID 127970694) is 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one is CCC1CC(C(=O)N2CCCCC2c2cnn(C)c2)CC(=O)N1.
What is the InChIKey of 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is KZWCKJQZVQRKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-14-8-12(9-16(22)19-14)17(23)21-7-5-4-6-15(21)13-10-18-20(2)11-13/h10-12,14-15H,3-9H2,1-2H3,(H,19,22).
What are the key properties of 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one?
6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 127970694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).