N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide

C16H23N3O3 — CID 142338278

IUPACN-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide
SMILESCCOc1ccc(/C(N)=N/C(=O)C2CCNCC2)cc1OC
InChIInChI=1S/C16H23N3O3/c1-3-22-13-5-4-12(10-14(13)21-2)15(17)19-16(20)11-6-8-18-9-7-11/h4-5,10-11,18H,3,6-9H2,1-2H3,(H2,17,19,20)
InChIKeyLLJJDSALFDKBLS-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.33
Rot. Bonds5

About N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide

N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide (PubChem CID 142338278) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide
PubChem CID142338278
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide
SMILESCCOc1ccc(/C(N)=N/C(=O)C2CCNCC2)cc1OC
InChIInChI=1S/C16H23N3O3/c1-3-22-13-5-4-12(10-14(13)21-2)15(17)19-16(20)11-6-8-18-9-7-11/h4-5,10-11,18H,3,6-9H2,1-2H3,(H2,17,19,20)
InChIKeyLLJJDSALFDKBLS-UHFFFAOYSA-N
XLogP1.33
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] piperidine-4-carboxylate
CID 174964194
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one
CID 116572273
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
1,4-diazepan-1-yl-(4-ethoxy-3-methoxyphenyl)methanone
CID 119415903

Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide?
The IUPAC name of N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide (CID 142338278) is N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide.
What is the SMILES notation for N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide?
The canonical SMILES for N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide is CCOc1ccc(/C(N)=N/C(=O)C2CCNCC2)cc1OC.
What is the InChIKey of N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide?
The InChIKey is LLJJDSALFDKBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-22-13-5-4-12(10-14(13)21-2)15(17)19-16(20)11-6-8-18-9-7-11/h4-5,10-11,18H,3,6-9H2,1-2H3,(H2,17,19,20).
What are the key properties of N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide?
N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide is sourced from PubChem (CID 142338278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).