tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate

C17H31N5O2 — CID 136569107

IUPACtert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate
SMILESCn1ccc(CNC2CCN(CCNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H31N5O2/c1-17(2,3)24-16(23)18-8-12-22-10-6-14(7-11-22)19-13-15-5-9-21(4)20-15/h5,9,14,19H,6-8,10-13H2,1-4H3,(H,18,23)
InChIKeyACBULGHVJKGARW-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.50
Rot. Bonds6

About tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate (PubChem CID 136569107) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate
PubChem CID136569107
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Nametert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate
SMILESCn1ccc(CNC2CCN(CCNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H31N5O2/c1-17(2,3)24-16(23)18-8-12-22-10-6-14(7-11-22)19-13-15-5-9-21(4)20-15/h5,9,14,19H,6-8,10-13H2,1-4H3,(H,18,23)
InChIKeyACBULGHVJKGARW-UHFFFAOYSA-N
XLogP1.50
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate (CID 136569107) is tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate is Cn1ccc(CNC2CCN(CCNC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate?
The InChIKey is ACBULGHVJKGARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-17(2,3)24-16(23)18-8-12-22-10-6-14(7-11-22)19-13-15-5-9-21(4)20-15/h5,9,14,19H,6-8,10-13H2,1-4H3,(H,18,23).
What are the key properties of tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate has a molecular weight of 337.47 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(1-methylpyrazol-3-yl)methylamino]piperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 136569107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).