(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone

C19H20N2O4 — CID 12806999

IUPAC(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H20N2O4/c22-19(16-6-8-17(9-7-16)21(23)24)20-12-10-18(11-13-20)25-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyYDWQYXJNUVELSU-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.42
Rot. Bonds5

About (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone

(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 12806999) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID12806999
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H20N2O4/c22-19(16-6-8-17(9-7-16)21(23)24)20-12-10-18(11-13-20)25-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyYDWQYXJNUVELSU-UHFFFAOYSA-N
XLogP3.42
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
4-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]benzamide
CID 56545792
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42844155
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
CID 24957914
N-[[1-(4-nitrobenzoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 3126779

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone (CID 12806999) is (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is YDWQYXJNUVELSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-19(16-6-8-17(9-7-16)21(23)24)20-12-10-18(11-13-20)25-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2.
What are the key properties of (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 340.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 12806999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).