N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide

C19H26N4O5 — CID 55904913

IUPACN-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide
SMILESCOCCNc1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H26N4O5/c1-28-11-8-20-16-5-2-14(12-17(16)23(26)27)19(25)22-9-6-13(7-10-22)18(24)21-15-3-4-15/h2,5,12-13,15,20H,3-4,6-11H2,1H3,(H,21,24)
InChIKeyUAXABYZGBMNAKT-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.78
Rot. Bonds8

About N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide

N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide (PubChem CID 55904913) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide
PubChem CID55904913
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC NameN-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide
SMILESCOCCNc1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H26N4O5/c1-28-11-8-20-16-5-2-14(12-17(16)23(26)27)19(25)22-9-6-13(7-10-22)18(24)21-15-3-4-15/h2,5,12-13,15,20H,3-4,6-11H2,1H3,(H,21,24)
InChIKeyUAXABYZGBMNAKT-UHFFFAOYSA-N
XLogP1.78
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-(2-methoxyethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzamide
CID 51255159
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-[4-(2-methoxyethylamino)-3-nitrophenyl]methanone
CID 55879029
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(2-methoxyethylamino)-3-nitrophenyl]methanone
CID 55971317
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[4-(2-methoxyethylamino)-3-nitrophenyl]methanone
CID 9489586
1-[4-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521404
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 4-(2-methoxyethylamino)-3-nitrobenzoate
CID 55459486
4-[[4-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperazin-1-yl]methyl]benzonitrile
CID 24515543
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
[4-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60675953
4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide
CID 32507530
1-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]-N-methylpiperidine-4-carboxamide
CID 55469029

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide (CID 55904913) is N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide is COCCNc1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide?
The InChIKey is UAXABYZGBMNAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-28-11-8-20-16-5-2-14(12-17(16)23(26)27)19(25)22-9-6-13(7-10-22)18(24)21-15-3-4-15/h2,5,12-13,15,20H,3-4,6-11H2,1H3,(H,21,24).
What are the key properties of N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55904913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).