tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate

C16H25N3O3 — CID 155207963

IUPACtert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCCC(=O)c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-5-14(20)12-10-17-19(11-12)13-6-8-18(9-7-13)15(21)22-16(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyVDWVZSTXLWDHLO-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.05
Rot. Bonds3

About tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 155207963) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID155207963
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCCC(=O)c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-5-14(20)12-10-17-19(11-12)13-6-8-18(9-7-13)15(21)22-16(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyVDWVZSTXLWDHLO-UHFFFAOYSA-N
XLogP3.05
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 142325362
tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 107253321
tert-butyl 4-[4-(cyclopropylmethylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104587606
ethane;1-[4-(4-propanoylpyrazol-1-yl)piperidin-1-yl]undecan-1-one
CID 177358601
tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 56777238
tert-butyl 4-[4-(4-methylpiperazin-1-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 169092669
tert-butyl 4-[4-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 171392913
tert-butyl 4-[4-(2-methylpyrimidin-5-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 123325395
tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate
CID 146276052
tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104584235
tert-butyl 4-[4-(4-chloro-2-oxopyrrolidin-1-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 168687203
tert-butyl 4-[4-(4-nitropyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 177197342

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate (CID 155207963) is tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate is CCC(=O)c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is VDWVZSTXLWDHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-14(20)12-10-17-19(11-12)13-6-8-18(9-7-13)15(21)22-16(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 155207963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).