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

C16H33N5O2 — CID 110940018

IUPAC1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
SMILESCCN/C(=N\CCCCN1CCC(C(N)=O)CC1)NCCOC
InChIInChI=1S/C16H33N5O2/c1-3-18-16(20-9-13-23-2)19-8-4-5-10-21-11-6-14(7-12-21)15(17)22/h14H,3-13H2,1-2H3,(H2,17,22)(H2,18,19,20)
InChIKeyOQHJFWUKYZZAGR-UHFFFAOYSA-N
MW327.47 g/mol
LogP0.17
Rot. Bonds10

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

1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide (PubChem CID 110940018) has the molecular formula C16H33N5O2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
PubChem CID110940018
Molecular FormulaC16H33N5O2
Molecular Weight327.47 g/mol
Exact Mass327.26
IUPAC Name1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
SMILESCCN/C(=N\CCCCN1CCC(C(N)=O)CC1)NCCOC
InChIInChI=1S/C16H33N5O2/c1-3-18-16(20-9-13-23-2)19-8-4-5-10-21-11-6-14(7-12-21)15(17)22/h14H,3-13H2,1-2H3,(H2,17,22)(H2,18,19,20)
InChIKeyOQHJFWUKYZZAGR-UHFFFAOYSA-N
XLogP0.17
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 50.17
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-[[N-ethyl-N'-(3-methoxypropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 110974061
1-ethyl-3-(2-methoxyethyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110939989
tert-butyl N-[2-[[N'-[4-(4-carbamoylpiperidin-1-yl)butyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate
CID 111884855
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methoxyethyl)guanidine
CID 110940012
1-ethyl-3-(2-methoxyethyl)-2-(4-morpholin-4-ylbutyl)guanidine
CID 110939994
1-[4-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]butyl]piperidine-4-carboxamide
CID 111170515
1-ethyl-3-(2-methoxyethyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 110939993
1-ethyl-2-(3-methoxypropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110974029
1-[4-[[N-ethyl-N'-[3-(oxan-4-ylmethoxy)propyl]carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111643513
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111406971
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 110940002
1-[4-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111641243

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide (CID 110940018) is 1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide is CCN/C(=N\CCCCN1CCC(C(N)=O)CC1)NCCOC.
What is the InChIKey of 1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide?
The InChIKey is OQHJFWUKYZZAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O2/c1-3-18-16(20-9-13-23-2)19-8-4-5-10-21-11-6-14(7-12-21)15(17)22/h14H,3-13H2,1-2H3,(H2,17,22)(H2,18,19,20).
What are the key properties of 1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide?
1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 0.17, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[ethylamino-(2-methoxyethylamino)methylidene]amino]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 110940018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).