N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide

C17H23N3O5 — CID 125145382

IUPACN-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H23N3O5/c1-25-12-2-9-18-16(21)13-7-10-19(11-8-13)17(22)14-3-5-15(6-4-14)20(23)24/h3-6,13H,2,7-12H2,1H3,(H,18,21)
InChIKeyFMXFISKNECALGT-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.60
Rot. Bonds7

About N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide

N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide (PubChem CID 125145382) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
PubChem CID125145382
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC NameN-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H23N3O5/c1-25-12-2-9-18-16(21)13-7-10-19(11-8-13)17(22)14-3-5-15(6-4-14)20(23)24/h3-6,13H,2,7-12H2,1H3,(H,18,21)
InChIKeyFMXFISKNECALGT-UHFFFAOYSA-N
XLogP1.60
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(azepan-1-ylsulfonyl)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954196
(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93209430
N-(3-methoxypropyl)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55988605
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 20973095
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
N-(3-methoxypropyl)-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 55953433
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
N-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
3-[4-(butylcarbamoyl)piperidine-1-carbonyl]-5-nitrobenzoic acid
CID 120691825
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide (CID 125145382) is N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
The InChIKey is FMXFISKNECALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-25-12-2-9-18-16(21)13-7-10-19(11-8-13)17(22)14-3-5-15(6-4-14)20(23)24/h3-6,13H,2,7-12H2,1H3,(H,18,21).
What are the key properties of N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 125145382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).