1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide

C22H37N5O2 — CID 111170515

IUPAC1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide
SMILESCCN/C(=N\CCCCN1CCC(C(N)=O)CC1)NCCc1ccc(OC)cc1
InChIInChI=1S/C22H37N5O2/c1-3-24-22(26-14-10-18-6-8-20(29-2)9-7-18)25-13-4-5-15-27-16-11-19(12-17-27)21(23)28/h6-9,19H,3-5,10-17H2,1-2H3,(H2,23,28)(H2,24,25,26)
InChIKeyRIDGLHYOGWOEPA-UHFFFAOYSA-N
MW403.57 g/mol
LogP1.77
Rot. Bonds11

About 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide

1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide (PubChem CID 111170515) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide
PubChem CID111170515
Molecular FormulaC22H37N5O2
Molecular Weight403.57 g/mol
Exact Mass403.29
IUPAC Name1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide
SMILESCCN/C(=N\CCCCN1CCC(C(N)=O)CC1)NCCc1ccc(OC)cc1
InChIInChI=1S/C22H37N5O2/c1-3-24-22(26-14-10-18-6-8-20(29-2)9-7-18)25-13-4-5-15-27-16-11-19(12-17-27)21(23)28/h6-9,19H,3-5,10-17H2,1-2H3,(H2,23,28)(H2,24,25,26)
InChIKeyRIDGLHYOGWOEPA-UHFFFAOYSA-N
XLogP1.77
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111641243
1-[4-[[ethylamino-[2-(4-pyrazol-1-ylphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide
CID 111864174
2-[4-[2-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 111324353
1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 110940018
1-[4-[[ethylamino-(2-thiophen-2-ylethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111349298
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111171018
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111214260
1-[4-[[N-ethyl-N'-(3-methoxypropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 110974061
2-[4-[2-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 111416648
1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111781405
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111214512
methyl 6-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]hexanoate
CID 111170057

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide (CID 111170515) is 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide is CCN/C(=N\CCCCN1CCC(C(N)=O)CC1)NCCc1ccc(OC)cc1.
What is the InChIKey of 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide?
The InChIKey is RIDGLHYOGWOEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O2/c1-3-24-22(26-14-10-18-6-8-20(29-2)9-7-18)25-13-4-5-15-27-16-11-19(12-17-27)21(23)28/h6-9,19H,3-5,10-17H2,1-2H3,(H2,23,28)(H2,24,25,26).
What are the key properties of 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide?
1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 1.77, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 111170515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).