tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate

C16H23N3O3 — CID 168887673

IUPACtert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-7-6-14(20)13(10-18)11-8-17-19(9-11)12-4-5-12/h8-9,12-13H,4-7,10H2,1-3H3
InChIKeyYJXJHTJBAZWVNV-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate

tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate (PubChem CID 168887673) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate
PubChem CID168887673
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-7-6-14(20)13(10-18)11-8-17-19(9-11)12-4-5-12/h8-9,12-13H,4-7,10H2,1-3H3
InChIKeyYJXJHTJBAZWVNV-UHFFFAOYSA-N
XLogP2.51
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(1-methylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate
CID 166561621
tert-butyl 3-(3-fluoro-5-methylphenyl)-4-oxopiperidine-1-carboxylate
CID 90477201
tert-butyl 3-[5-(dimethoxymethyl)-3-pyridinyl]-4-oxopiperidine-1-carboxylate
CID 164734743
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 170927522
tert-butyl 3-(4-nitropyrazol-1-yl)-4-oxopiperidine-1-carboxylate
CID 118288827
tert-butyl (3S)-3-(4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
CID 172557595
tert-butyl 4-[4-(4-chloro-2-oxopyrrolidin-1-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 168687203
tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
CID 146158103
tert-butyl 3-(4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate;ethane
CID 156721962
tert-butyl (3R,4R)-4-(4-bromopyrazol-1-yl)-3-hydroxypiperidine-1-carboxylate
CID 135344348
tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate
CID 155207963
tert-butyl 4-[4-(4-methylpiperazin-1-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 169092669

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate (CID 168887673) is tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C(c2cnn(C3CC3)c2)C1.
What is the InChIKey of tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate?
The InChIKey is YJXJHTJBAZWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-7-6-14(20)13(10-18)11-8-17-19(9-11)12-4-5-12/h8-9,12-13H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate?
tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 168887673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).