1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one

C20H26N6O2 — CID 75473623

IUPAC1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one
SMILESCc1ncccc1C(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1
InChIInChI=1S/C20H26N6O2/c1-15-17(5-3-7-21-15)19(27)25-11-9-24(10-12-25)18-6-4-8-26(20(18)28)16-13-22-23(2)14-16/h3,5,7,13-14,18H,4,6,8-12H2,1-2H3
InChIKeyRRFJDRIRIOTGKS-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.08
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one

1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one (PubChem CID 75473623) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one
PubChem CID75473623
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one
SMILESCc1ncccc1C(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1
InChIInChI=1S/C20H26N6O2/c1-15-17(5-3-7-21-15)19(27)25-11-9-24(10-12-25)18-6-4-8-26(20(18)28)16-13-22-23(2)14-16/h3,5,7,13-14,18H,4,6,8-12H2,1-2H3
InChIKeyRRFJDRIRIOTGKS-UHFFFAOYSA-N
XLogP1.08
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one
CID 97216748
3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467811
(3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97342812
3-[4-(3-methylbutanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467806
(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one
CID 97075628
3-[4-[3-(2-methylphenyl)butanoyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 86814843
3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467836
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 97344654
1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342865
(3S)-1-(1-methylpyrazol-4-yl)-3-(4-propylsulfonylpiperazin-1-yl)piperidin-2-one
CID 97318019
(3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 97344020
1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one
CID 127394882

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one (CID 75473623) is 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one is Cc1ncccc1C(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one?
The InChIKey is RRFJDRIRIOTGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15-17(5-3-7-21-15)19(27)25-11-9-24(10-12-25)18-6-4-8-26(20(18)28)16-13-22-23(2)14-16/h3,5,7,13-14,18H,4,6,8-12H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one?
1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one has a molecular weight of 382.47 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 75473623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).