tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate

C17H32N4O5 — CID 165176106

IUPACtert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CN(C2CCC([N+](=O)[O-])NC2)CCO1
InChIInChI=1S/C17H32N4O5/c1-16(2,3)26-15(22)19-17(4,5)13-11-20(8-9-25-13)12-6-7-14(18-10-12)21(23)24/h12-14,18H,6-11H2,1-5H3,(H,19,22)
InChIKeyJWKBDQNZUIJDNO-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.35
Rot. Bonds4

About tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate

tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate (PubChem CID 165176106) has the molecular formula C17H32N4O5 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate
PubChem CID165176106
Molecular FormulaC17H32N4O5
Molecular Weight372.47 g/mol
Exact Mass372.24
IUPAC Nametert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CN(C2CCC([N+](=O)[O-])NC2)CCO1
InChIInChI=1S/C17H32N4O5/c1-16(2,3)26-15(22)19-17(4,5)13-11-20(8-9-25-13)12-6-7-14(18-10-12)21(23)24/h12-14,18H,6-11H2,1-5H3,(H,19,22)
InChIKeyJWKBDQNZUIJDNO-UHFFFAOYSA-N
XLogP1.35
TPSA105.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate (CID 165176106) is tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C1CN(C2CCC([N+](=O)[O-])NC2)CCO1.
What is the InChIKey of tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate?
The InChIKey is JWKBDQNZUIJDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O5/c1-16(2,3)26-15(22)19-17(4,5)13-11-20(8-9-25-13)12-6-7-14(18-10-12)21(23)24/h12-14,18H,6-11H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate?
tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate has a molecular weight of 372.47 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl]carbamate is sourced from PubChem (CID 165176106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).