(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one

C16H25N5O3S — CID 97344654

IUPAC(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cn1
InChIInChI=1S/C16H25N5O3S/c1-18-12-13(11-17-18)21-6-2-3-15(16(21)22)19-7-9-20(10-8-19)25(23,24)14-4-5-14/h11-12,14-15H,2-10H2,1H3/t15-/m1/s1
InChIKeyJVIROOPNXTWIPP-OAHLLOKOSA-N
MW367.48 g/mol
LogP0.03
Rot. Bonds4

About (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one

(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 97344654) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID97344654
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cn1
InChIInChI=1S/C16H25N5O3S/c1-18-12-13(11-17-18)21-6-2-3-15(16(21)22)19-7-9-20(10-8-19)25(23,24)14-4-5-14/h11-12,14-15H,2-10H2,1H3/t15-/m1/s1
InChIKeyJVIROOPNXTWIPP-OAHLLOKOSA-N
XLogP0.03
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(1-methylpyrazol-4-yl)-3-(4-propylsulfonylpiperazin-1-yl)piperidin-2-one
CID 97318019
(3R)-1-(1-methylpyrazol-4-yl)-3-(4-propylsulfonylpiperazin-1-yl)piperidin-2-one
CID 97318018
(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one
CID 97075628
3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467811
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
CID 97346624
3-[4-(3-methylbutanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467806
(3S)-3-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 97344053
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 111543883
3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467836
1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one
CID 75473623
1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one
CID 127394882
1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342865

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 97344654) is (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cn1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cn1.
What is the InChIKey of (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is JVIROOPNXTWIPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-18-12-13(11-17-18)21-6-2-3-15(16(21)22)19-7-9-20(10-8-19)25(23,24)14-4-5-14/h11-12,14-15H,2-10H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 367.48 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 97344654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).