(3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one

C19H25N5O2S — CID 97216748

IUPAC(3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one
SMILESCc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-5-6-17(27-14)19(26)23-10-8-22(9-11-23)16-4-3-7-24(18(16)25)15-12-20-21(2)13-15/h5-6,12-13,16H,3-4,7-11H2,1-2H3/t16-/m0/s1
InChIKeyPDFGSGYYCKNBOD-INIZCTEOSA-N
MW387.51 g/mol
LogP1.74
Rot. Bonds3

About (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one

(3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one (PubChem CID 97216748) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one
PubChem CID97216748
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name(3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one
SMILESCc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-5-6-17(27-14)19(26)23-10-8-22(9-11-23)16-4-3-7-24(18(16)25)15-12-20-21(2)13-15/h5-6,12-13,16H,3-4,7-11H2,1-2H3/t16-/m0/s1
InChIKeyPDFGSGYYCKNBOD-INIZCTEOSA-N
XLogP1.74
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467811
1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one
CID 75473623
3-[4-(3-methylbutanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467806
3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467836
1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342865
(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
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 97344654
(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
(3R)-1-(1-methylpyrazol-4-yl)-3-(4-propylsulfonylpiperazin-1-yl)piperidin-2-one
CID 97318018
(3S)-1-(1-methylpyrazol-4-yl)-3-(4-propylsulfonylpiperazin-1-yl)piperidin-2-one
CID 97318019

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one?
The IUPAC name of (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one (CID 97216748) is (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one?
The canonical SMILES for (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one is Cc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)s1.
What is the InChIKey of (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one?
The InChIKey is PDFGSGYYCKNBOD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-5-6-17(27-14)19(26)23-10-8-22(9-11-23)16-4-3-7-24(18(16)25)15-12-20-21(2)13-15/h5-6,12-13,16H,3-4,7-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one?
(3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one has a molecular weight of 387.51 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 97216748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).