(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide

C16H25N3O2 — CID 96999655

IUPAC(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@H](NCc2ccccc2)C1
InChIInChI=1S/C16H25N3O2/c1-21-11-9-17-16(20)19-10-5-8-15(13-19)18-12-14-6-3-2-4-7-14/h2-4,6-7,15,18H,5,8-13H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyXJOVKYKLFUHYGY-HNNXBMFYSA-N
MW291.39 g/mol
LogP1.60
Rot. Bonds6

About (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide

(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 96999655) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID96999655
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@H](NCc2ccccc2)C1
InChIInChI=1S/C16H25N3O2/c1-21-11-9-17-16(20)19-10-5-8-15(13-19)18-12-14-6-3-2-4-7-14/h2-4,6-7,15,18H,5,8-13H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyXJOVKYKLFUHYGY-HNNXBMFYSA-N
XLogP1.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide 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

1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 119105569
(2S,4S)-4-(benzylamino)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45222870
3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 51083543
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 71913212
(2S,4R)-4-(benzylamino)-N-(2-methoxyethyl)-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 29257710
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride
CID 68753675
(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
CID 68661601
ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate
CID 142212446
5-[(3S)-1-(2-methoxyethylcarbamoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879803

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide (CID 96999655) is (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide is COCCNC(=O)N1CCC[C@H](NCc2ccccc2)C1.
What is the InChIKey of (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is XJOVKYKLFUHYGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-11-9-17-16(20)19-10-5-8-15(13-19)18-12-14-6-3-2-4-7-14/h2-4,6-7,15,18H,5,8-13H2,1H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide?
(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 96999655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).