1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

C16H26N4O — CID 56870504

IUPAC1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1CCN1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C16H26N4O/c1-12-15(13(2)18-17-12)7-11-19-9-5-14(6-10-19)20-8-3-4-16(20)21/h14H,3-11H2,1-2H3,(H,17,18)
InChIKeyMMRQFBOESGRDHH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.66
Rot. Bonds4

About 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56870504) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID56870504
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1CCN1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C16H26N4O/c1-12-15(13(2)18-17-12)7-11-19-9-5-14(6-10-19)20-8-3-4-16(20)21/h14H,3-11H2,1-2H3,(H,17,18)
InChIKeyMMRQFBOESGRDHH-UHFFFAOYSA-N
XLogP1.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24818911
1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 46988868
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
11-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754333
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
2-(3,5-Dimethyl-1H-pyrazol-4-YL)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-YL]ethanone
CID 118740021
7-(2,2-dimethylpropyl)-2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 56912204
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-{[1-(2-methoxyethyl)piperidin-4-YL]methyl}-N-methylacetamide
CID 70747717
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one (CID 56870504) is 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one is Cc1n[nH]c(C)c1CCN1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is MMRQFBOESGRDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-15(13(2)18-17-12)7-11-19-9-5-14(6-10-19)20-8-3-4-16(20)21/h14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56870504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).