(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride

C17H26ClN3O3 — CID 119729072

IUPAC(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-3-20(17(22)15-9-4-5-10-18-15)12-16(21)19-13-7-6-8-14(11-13)23-2;/h6-8,11,15,18H,3-5,9-10,12H2,1-2H3,(H,19,21);1H/t15-;/m0./s1
InChIKeyQIKQPNSAVXYNHB-RSAXXLAASA-N
MW355.87 g/mol
LogP2.05
Rot. Bonds6

About (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119729072) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119729072
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-3-20(17(22)15-9-4-5-10-18-15)12-16(21)19-13-7-6-8-14(11-13)23-2;/h6-8,11,15,18H,3-5,9-10,12H2,1-2H3,(H,19,21);1H/t15-;/m0./s1
InChIKeyQIKQPNSAVXYNHB-RSAXXLAASA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119292397
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119335151
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291082
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-(3-methoxyphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635727
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106615533
3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729065
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
1-cyclopentyl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359330
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 40609025
N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922797

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride (CID 119729072) is (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is QIKQPNSAVXYNHB-RSAXXLAASA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-3-20(17(22)15-9-4-5-10-18-15)12-16(21)19-13-7-6-8-14(11-13)23-2;/h6-8,11,15,18H,3-5,9-10,12H2,1-2H3,(H,19,21);1H/t15-;/m0./s1.
What are the key properties of (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119729072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).