1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile

C19H26N6O2 — CID 97342865

IUPAC1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCn1cc(N2CCC[C@H](N3CCN(C(=O)C4(C#N)CCC4)CC3)C2=O)cn1
InChIInChI=1S/C19H26N6O2/c1-22-13-15(12-21-22)25-7-2-4-16(17(25)26)23-8-10-24(11-9-23)18(27)19(14-20)5-3-6-19/h12-13,16H,2-11H2,1H3/t16-/m0/s1
InChIKeyWGSYNZCRYHBKHI-INIZCTEOSA-N
MW370.46 g/mol
LogP0.75
Rot. Bonds3

About 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile

1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 97342865) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID97342865
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCn1cc(N2CCC[C@H](N3CCN(C(=O)C4(C#N)CCC4)CC3)C2=O)cn1
InChIInChI=1S/C19H26N6O2/c1-22-13-15(12-21-22)25-7-2-4-16(17(25)26)23-8-10-24(11-9-23)18(27)19(14-20)5-3-6-19/h12-13,16H,2-11H2,1H3/t16-/m0/s1
InChIKeyWGSYNZCRYHBKHI-INIZCTEOSA-N
XLogP0.75
TPSA85.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.75
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
3-[4-(3-methylbutanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467806
1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342797
3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467836
(3S)-3-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 97344053
(3S)-1-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]piperidin-2-one
CID 97216748
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 97344654
1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one
CID 75473623
(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-[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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile (CID 97342865) is 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile is Cn1cc(N2CCC[C@H](N3CCN(C(=O)C4(C#N)CCC4)CC3)C2=O)cn1.
What is the InChIKey of 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is WGSYNZCRYHBKHI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-22-13-15(12-21-22)25-7-2-4-16(17(25)26)23-8-10-24(11-9-23)18(27)19(14-20)5-3-6-19/h12-13,16H,2-11H2,1H3/t16-/m0/s1.
What are the key properties of 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 97342865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).