1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide

C22H26N4O3 — CID 59749324

IUPAC1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide
SMILES[H]/N=C(\N)c1cccc(OCCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N4O3/c23-20(24)18-7-4-8-19(15-18)29-14-11-25-21(27)16-9-12-26(13-10-16)22(28)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H3,23,24)(H,25,27)
InChIKeyJMPAMSFVWSKNQC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.02
Rot. Bonds7

About 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide

1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 59749324) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide
PubChem CID59749324
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide
SMILES[H]/N=C(\N)c1cccc(OCCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N4O3/c23-20(24)18-7-4-8-19(15-18)29-14-11-25-21(27)16-9-12-26(13-10-16)22(28)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H3,23,24)(H,25,27)
InChIKeyJMPAMSFVWSKNQC-UHFFFAOYSA-N
XLogP2.02
TPSA108.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.02
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

N-[2-(3-methoxyphenoxy)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46451115
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
CID 54794066
(2S)-2-amino-N-[3-(3-carbamimidoylphenoxy)propyl]propanamide
CID 59749242
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46387291
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51125128
N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide
CID 131901390
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide (CID 59749324) is 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide is [H]/N=C(\N)c1cccc(OCCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is JMPAMSFVWSKNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c23-20(24)18-7-4-8-19(15-18)29-14-11-25-21(27)16-9-12-26(13-10-16)22(28)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H3,23,24)(H,25,27).
What are the key properties of 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide?
1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 59749324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).