tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate

C17H29N5O2 — CID 126817959

IUPACtert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(C3CCCNC3)[nH]n2)CC1
InChIInChI=1S/C17H29N5O2/c1-17(2,3)24-16(23)22-9-7-21(8-10-22)15-11-14(19-20-15)13-5-4-6-18-12-13/h11,13,18H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyGOQWAWXADUAUIT-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate

tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate (PubChem CID 126817959) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate
PubChem CID126817959
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Nametert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(C3CCCNC3)[nH]n2)CC1
InChIInChI=1S/C17H29N5O2/c1-17(2,3)24-16(23)22-9-7-21(8-10-22)15-11-14(19-20-15)13-5-4-6-18-12-13/h11,13,18H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyGOQWAWXADUAUIT-UHFFFAOYSA-N
XLogP1.93
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

bis(tert-butyl 4-(piperidin-3-ylmethyl)piperazine-1-carboxylate);oxalic acid
CID 56773553
1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 138033141
tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 172561153
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 3-(3-iodo-1H-pyrazol-5-yl)azetidine-1-carboxylate
CID 90292754
3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 138033137
tert-butyl 4-piperidin-3-yl-1,4-diazepane-1-carboxylate
CID 82564765
methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylate
CID 165002851
tert-butyl 4-[5-(2,3-dichlorophenyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate
CID 23531025
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate (CID 126817959) is tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc(C3CCCNC3)[nH]n2)CC1.
What is the InChIKey of tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate?
The InChIKey is GOQWAWXADUAUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-17(2,3)24-16(23)22-9-7-21(8-10-22)15-11-14(19-20-15)13-5-4-6-18-12-13/h11,13,18H,4-10,12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 126817959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).