1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate

C18H36N4O4 — CID 162193860

IUPAC1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCNCC1.NC1CCN(C(=O)CCO)CC1
InChIInChI=1S/C10H20N2O2.C8H16N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-7-1-4-10(5-2-7)8(12)3-6-11/h8,11H,4-7H2,1-3H3,(H,12,13);7,11H,1-6,9H2
InChIKeyZQRIMXWJTDACDL-UHFFFAOYSA-N
MW372.51 g/mol
LogP0.58
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate

1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate (PubChem CID 162193860) has the molecular formula C18H36N4O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate
PubChem CID162193860
Molecular FormulaC18H36N4O4
Molecular Weight372.51 g/mol
Exact Mass372.27
IUPAC Name1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCNCC1.NC1CCN(C(=O)CCO)CC1
InChIInChI=1S/C10H20N2O2.C8H16N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-7-1-4-10(5-2-7)8(12)3-6-11/h8,11H,4-7H2,1-3H3,(H,12,13);7,11H,1-6,9H2
InChIKeyZQRIMXWJTDACDL-UHFFFAOYSA-N
XLogP0.58
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate (CID 162193860) is 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)NC1CCNCC1.NC1CCN(C(=O)CCO)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate?
The InChIKey is ZQRIMXWJTDACDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C8H16N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-7-1-4-10(5-2-7)8(12)3-6-11/h8,11H,4-7H2,1-3H3,(H,12,13);7,11H,1-6,9H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate?
1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate has a molecular weight of 372.51 g/mol, XLogP of 0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate is sourced from PubChem (CID 162193860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).