2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

C19H22N4O3 — CID 121108772

IUPAC2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H22N4O3/c24-19(13-15-1-3-18(4-2-15)23(25)26)21-14-16-7-11-22(12-8-16)17-5-9-20-10-6-17/h1-6,9-10,16H,7-8,11-14H2,(H,21,24)
InChIKeyIKEVWFDIZQPUPJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.57
Rot. Bonds6

About 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 121108772) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
PubChem CID121108772
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H22N4O3/c24-19(13-15-1-3-18(4-2-15)23(25)26)21-14-16-7-11-22(12-8-16)17-5-9-20-10-6-17/h1-6,9-10,16H,7-8,11-14H2,(H,21,24)
InChIKeyIKEVWFDIZQPUPJ-UHFFFAOYSA-N
XLogP2.57
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
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

2-chloro-4-nitro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108803
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
4,5-dimethoxy-2-nitro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108816
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 67148678
4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 121109069
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
[1-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]piperidin-4-yl]methylcarbamic acid
CID 174219760
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (CID 121108772) is 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is IKEVWFDIZQPUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-19(13-15-1-3-18(4-2-15)23(25)26)21-14-16-7-11-22(12-8-16)17-5-9-20-10-6-17/h1-6,9-10,16H,7-8,11-14H2,(H,21,24).
What are the key properties of 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 121108772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).