(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one

C17H27N5O3S — CID 97346624

IUPAC(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
SMILESCc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)n(C)n1
InChIInChI=1S/C17H27N5O3S/c1-13-12-16(19(2)18-13)22-7-3-4-15(17(22)23)20-8-10-21(11-9-20)26(24,25)14-5-6-14/h12,14-15H,3-11H2,1-2H3/t15-/m1/s1
InChIKeyVWIFAJJMPQQAPC-OAHLLOKOSA-N
MW381.50 g/mol
LogP0.33
Rot. Bonds4

About (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one

(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one (PubChem CID 97346624) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
PubChem CID97346624
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
SMILESCc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)n(C)n1
InChIInChI=1S/C17H27N5O3S/c1-13-12-16(19(2)18-13)22-7-3-4-15(17(22)23)20-8-10-21(11-9-20)26(24,25)14-5-6-14/h12,14-15H,3-11H2,1-2H3/t15-/m1/s1
InChIKeyVWIFAJJMPQQAPC-OAHLLOKOSA-N
XLogP0.33
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one (CID 97346624) is (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one is Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)n(C)n1.
What is the InChIKey of (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one?
The InChIKey is VWIFAJJMPQQAPC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-13-12-16(19(2)18-13)22-7-3-4-15(17(22)23)20-8-10-21(11-9-20)26(24,25)14-5-6-14/h12,14-15H,3-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one?
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one has a molecular weight of 381.50 g/mol, XLogP of 0.33, 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-(2,5-dimethylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 97346624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).