2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate

C19H29N3O4 — CID 7338693

IUPAC2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate
SMILESCOCCO/C(=N\CCN1CCCCC1)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C19H29N3O4/c1-24-13-14-26-19(20-9-12-22-10-4-3-5-11-22)21-18(23)16-7-6-8-17(15-16)25-2/h6-8,15H,3-5,9-14H2,1-2H3,(H,20,21,23)
InChIKeyFJOXZQAOKUPGSB-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.93
Rot. Bonds8

About 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate

2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate (PubChem CID 7338693) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate
PubChem CID7338693
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate
SMILESCOCCO/C(=N\CCN1CCCCC1)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C19H29N3O4/c1-24-13-14-26-19(20-9-12-22-10-4-3-5-11-22)21-18(23)16-7-6-8-17(15-16)25-2/h6-8,15H,3-5,9-14H2,1-2H3,(H,20,21,23)
InChIKeyFJOXZQAOKUPGSB-UHFFFAOYSA-N
XLogP1.93
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate
CID 7413412
N-[2-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111416279
2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate
CID 7338069
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
ethyl N-(3-methoxybenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate
CID 7364918
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
N-[N-(3-chloro-4-methylphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-3-methoxybenzamide
CID 50819938
N-[N-(3,5-dimethylphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-3-methoxybenzamide
CID 50819390
N-[N-(3-fluorophenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-3-methoxybenzamide
CID 50819646
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111188269
1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111416345
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate?
The IUPAC name of 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate (CID 7338693) is 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate.
What is the SMILES notation for 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate?
The canonical SMILES for 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate is COCCO/C(=N\CCN1CCCCC1)NC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate?
The InChIKey is FJOXZQAOKUPGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-24-13-14-26-19(20-9-12-22-10-4-3-5-11-22)21-18(23)16-7-6-8-17(15-16)25-2/h6-8,15H,3-5,9-14H2,1-2H3,(H,20,21,23).
What are the key properties of 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate?
2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate has a molecular weight of 363.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate is sourced from PubChem (CID 7338693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).