1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

C23H29N3O3 — CID 87015216

IUPAC1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)CN2CCCC(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C23H29N3O3/c1-2-29-21-12-6-8-18(14-21)15-24-22(27)17-26-13-7-9-19(16-26)23(28)25-20-10-4-3-5-11-20/h3-6,8,10-12,14,19H,2,7,9,13,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyVZAKMZPJNWXOAT-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.05
Rot. Bonds8

About 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 87015216) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID87015216
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)CN2CCCC(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C23H29N3O3/c1-2-29-21-12-6-8-18(14-21)15-24-22(27)17-26-13-7-9-19(16-26)23(28)25-20-10-4-3-5-11-20/h3-6,8,10-12,14,19H,2,7,9,13,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyVZAKMZPJNWXOAT-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905107
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916676
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
(2S)-1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71914135
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 78899307
1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 166605733
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
1-[2-[(3-butoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907001
1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 60523102
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125275

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (CID 87015216) is 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is CCOc1cccc(CNC(=O)CN2CCCC(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is VZAKMZPJNWXOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-29-21-12-6-8-18(14-21)15-24-22(27)17-26-13-7-9-19(16-26)23(28)25-20-10-4-3-5-11-20/h3-6,8,10-12,14,19H,2,7,9,13,15-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 87015216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).