[4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate

C17H32N4O5 — CID 175330301

IUPAC[4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate
SMILESCC(C)(C)CC(C)(OC(N)=O)C1CN(C2CCC([N+](=O)[O-])NC2)CCO1
InChIInChI=1S/C17H32N4O5/c1-16(2,3)11-17(4,26-15(18)22)13-10-20(7-8-25-13)12-5-6-14(19-9-12)21(23)24/h12-14,19H,5-11H2,1-4H3,(H2,18,22)
InChIKeyCFSXCUGBXHXHNT-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.33
Rot. Bonds5

About [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate

[4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate (PubChem CID 175330301) has the molecular formula C17H32N4O5 and a molecular weight of 372.47 g/mol. Its IUPAC name is [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate.

Molecular Properties

Compound Name[4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate
PubChem CID175330301
Molecular FormulaC17H32N4O5
Molecular Weight372.47 g/mol
Exact Mass372.24
IUPAC Name[4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate
SMILESCC(C)(C)CC(C)(OC(N)=O)C1CN(C2CCC([N+](=O)[O-])NC2)CCO1
InChIInChI=1S/C17H32N4O5/c1-16(2,3)11-17(4,26-15(18)22)13-10-20(7-8-25-13)12-5-6-14(19-9-12)21(23)24/h12-14,19H,5-11H2,1-4H3,(H2,18,22)
InChIKeyCFSXCUGBXHXHNT-UHFFFAOYSA-N
XLogP1.33
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.33
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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Related Compounds

tert-butyl N-cyclopropyl-N-[[(2S)-4-(6-nitropiperidin-3-yl)morpholin-2-yl]methyl]carbamate
CID 165176098
tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate
CID 175330286
4-[(3R)-pyrrolidin-3-yl]morpholine-2-carboxamide
CID 140671738
4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride
CID 131134701
1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride
CID 174531198
4-cyclohexyl-2-(1,1-difluoroethyl)morpholine
CID 121262419
4-pyrrolidin-3-ylmorpholin-2-amine
CID 144551208
(2S)-4-(azetidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]morpholine
CID 58469905
methyl 2-(4-cyclopentylmorpholin-2-yl)acetate
CID 115537752
(2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate
CID 156905516
[4-(azetidin-3-yl)morpholin-2-yl]methanol
CID 81217530
[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol
CID 133437647

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate?
The IUPAC name of [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate (CID 175330301) is [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate.
What is the SMILES notation for [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate?
The canonical SMILES for [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate is CC(C)(C)CC(C)(OC(N)=O)C1CN(C2CCC([N+](=O)[O-])NC2)CCO1.
What is the InChIKey of [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate?
The InChIKey is CFSXCUGBXHXHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O5/c1-16(2,3)11-17(4,26-15(18)22)13-10-20(7-8-25-13)12-5-6-14(19-9-12)21(23)24/h12-14,19H,5-11H2,1-4H3,(H2,18,22).
What are the key properties of [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate?
[4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate has a molecular weight of 372.47 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]pentan-2-yl] carbamate is sourced from PubChem (CID 175330301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).