ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate

C19H29N3O3 — CID 9473918

IUPACethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C19H29N3O3/c1-3-25-19(24)21-17-10-8-16(9-11-17)18(23)20-12-6-14-22-13-5-4-7-15(22)2/h8-11,15H,3-7,12-14H2,1-2H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyREQJFXDLARMELS-HNNXBMFYSA-N
MW347.46 g/mol
LogP3.25
Rot. Bonds7

About ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate

ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate (PubChem CID 9473918) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
PubChem CID9473918
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCCCN2CCCC[C@@H]2C)cc1
InChIInChI=1S/C19H29N3O3/c1-3-25-19(24)21-17-10-8-16(9-11-17)18(23)20-12-6-14-22-13-5-4-7-15(22)2/h8-11,15H,3-7,12-14H2,1-2H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyREQJFXDLARMELS-HNNXBMFYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9473547
5-ethyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92870226
4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 84975147
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 43468974

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate (CID 9473918) is ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)NCCCN2CCCC[C@@H]2C)cc1.
What is the InChIKey of ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate?
The InChIKey is REQJFXDLARMELS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-19(24)21-17-10-8-16(9-11-17)18(23)20-12-6-14-22-13-5-4-7-15(22)2/h8-11,15H,3-7,12-14H2,1-2H3,(H,20,23)(H,21,24)/t15-/m0/s1.
What are the key properties of ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate?
ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 9473918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).