1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C18H26ClN3O4 — CID 119745251

IUPAC1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cc(Cl)c(N)cc2OC)CC1
InChIInChI=1S/C18H26ClN3O4/c1-25-9-3-6-21-17(23)12-4-7-22(8-5-12)18(24)13-10-14(19)15(20)11-16(13)26-2/h10-12H,3-9,20H2,1-2H3,(H,21,23)
InChIKeyRDVGAXPHVUPMMN-UHFFFAOYSA-N
MW383.88 g/mol
LogP1.94
Rot. Bonds7

About 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 119745251) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID119745251
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Name1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cc(Cl)c(N)cc2OC)CC1
InChIInChI=1S/C18H26ClN3O4/c1-25-9-3-6-21-17(23)12-4-7-22(8-5-12)18(24)13-10-14(19)15(20)11-16(13)26-2/h10-12H,3-9,20H2,1-2H3,(H,21,23)
InChIKeyRDVGAXPHVUPMMN-UHFFFAOYSA-N
XLogP1.94
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698241
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974724
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
CID 119780867

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 119745251) is 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2cc(Cl)c(N)cc2OC)CC1.
What is the InChIKey of 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is RDVGAXPHVUPMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4/c1-25-9-3-6-21-17(23)12-4-7-22(8-5-12)18(24)13-10-14(19)15(20)11-16(13)26-2/h10-12H,3-9,20H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 119745251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).