(4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate

C26H27N3O4 — CID 176617191

IUPAC(4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H27N3O4/c30-26(33-25-13-11-24(12-14-25)29(31)32)28(22-9-5-2-6-10-22)23-16-19-27(20-17-23)18-15-21-7-3-1-4-8-21/h1-14,23H,15-20H2
InChIKeyOQZBWFJRCCVGST-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.31
Rot. Bonds7

About (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate

(4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate (PubChem CID 176617191) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate
PubChem CID176617191
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name(4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H27N3O4/c30-26(33-25-13-11-24(12-14-25)29(31)32)28(22-9-5-2-6-10-22)23-16-19-27(20-17-23)18-15-21-7-3-1-4-8-21/h1-14,23H,15-20H2
InChIKeyOQZBWFJRCCVGST-UHFFFAOYSA-N
XLogP5.31
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
2,2,2-trifluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 155907714
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
CID 12741863
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 139032969
trans-(1S,2S)-2-[phenyl-[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 178169179
2-fluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 11631733
N-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 118796493
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate?
The IUPAC name of (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate (CID 176617191) is (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate?
The canonical SMILES for (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate is O=C(Oc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate?
The InChIKey is OQZBWFJRCCVGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-26(33-25-13-11-24(12-14-25)29(31)32)28(22-9-5-2-6-10-22)23-16-19-27(20-17-23)18-15-21-7-3-1-4-8-21/h1-14,23H,15-20H2.
What are the key properties of (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate?
(4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate has a molecular weight of 445.52 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 176617191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).