2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide

C16H22Cl2N2O2 — CID 95304469

IUPAC2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O2/c1-11-4-6-20(7-5-11)10-13(21)9-19-16(22)14-3-2-12(17)8-15(14)18/h2-3,8,11,13,21H,4-7,9-10H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyKXEMDCRRCUTTLN-ZDUSSCGKSA-N
MW345.27 g/mol
LogP2.82
Rot. Bonds5

About 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide

2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 95304469) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID95304469
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O2/c1-11-4-6-20(7-5-11)10-13(21)9-19-16(22)14-3-2-12(17)8-15(14)18/h2-3,8,11,13,21H,4-7,9-10H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyKXEMDCRRCUTTLN-ZDUSSCGKSA-N
XLogP2.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
2-cyclobutyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111427408
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 111112760
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 111112743
4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide
CID 75452786
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide
CID 138053853
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111422396
2,4-dichloro-N-[2-[4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]benzamide
CID 124851587
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 95304469) is 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide is CC1CCN(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is KXEMDCRRCUTTLN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-11-4-6-20(7-5-11)10-13(21)9-19-16(22)14-3-2-12(17)8-15(14)18/h2-3,8,11,13,21H,4-7,9-10H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide?
2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 345.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 95304469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).