1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C16H23ClN4O2 — CID 70765822

IUPAC1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C16H23ClN4O2/c17-14-10-18-21(12-14)9-5-16(23)19-7-3-13(4-8-19)11-20-6-1-2-15(20)22/h10,12-13H,1-9,11H2
InChIKeyRBUSDJXSFVCUEU-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.79
Rot. Bonds5

About 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 70765822) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID70765822
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C16H23ClN4O2/c17-14-10-18-21(12-14)9-5-16(23)19-7-3-13(4-8-19)11-20-6-1-2-15(20)22/h10,12-13H,1-9,11H2
InChIKeyRBUSDJXSFVCUEU-UHFFFAOYSA-N
XLogP1.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-{1-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]piperidin-3-yl}pyrrolidin-2-one
CID 56865248
1-(2-amino-2-oxoethyl)-N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 70760807
1-(2-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-2-oxoethyl)-4-piperidinecarboxamide
CID 72893561
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(cyclopropylcarbonyl)-4-piperidinecarboxamide
CID 72899748
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72933065
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one
CID 91842379
(3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97128296
3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 164630659
1-[(1-Ethyl-1H-pyrazol-4-YL)methyl]-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine
CID 132443150
4,4-difluoro-1-{1-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]pyrrolidine-3-carbonyl}piperidine
CID 165432177
1-(2-oxo-2-{4-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}ethyl)-2-pyrrolidinone
CID 28363098

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 70765822) is 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C(CCn1cc(Cl)cn1)N1CCC(CN2CCCC2=O)CC1.
What is the InChIKey of 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is RBUSDJXSFVCUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c17-14-10-18-21(12-14)9-5-16(23)19-7-3-13(4-8-19)11-20-6-1-2-15(20)22/h10,12-13H,1-9,11H2.
What are the key properties of 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 338.84 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 70765822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).