2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide

C16H22Cl2N2O2 — CID 155515294

IUPAC2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide
SMILESCO[C@H]1CN(C(C)C)CC[C@H]1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-10(2)20-8-7-13(14(9-20)22-3)19-16(21)15-11(17)5-4-6-12(15)18/h4-6,10,13-14H,7-9H2,1-3H3,(H,19,21)/t13-,14+/m1/s1
InChIKeyVYOFIXQAWHLPIS-KGLIPLIRSA-N
MW345.27 g/mol
LogP3.22
Rot. Bonds4

About 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide

2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide (PubChem CID 155515294) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide
PubChem CID155515294
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide
SMILESCO[C@H]1CN(C(C)C)CC[C@H]1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-10(2)20-8-7-13(14(9-20)22-3)19-16(21)15-11(17)5-4-6-12(15)18/h4-6,10,13-14H,7-9H2,1-3H3,(H,19,21)/t13-,14+/m1/s1
InChIKeyVYOFIXQAWHLPIS-KGLIPLIRSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide (CID 155515294) is 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide is CO[C@H]1CN(C(C)C)CC[C@H]1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide?
The InChIKey is VYOFIXQAWHLPIS-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-10(2)20-8-7-13(14(9-20)22-3)19-16(21)15-11(17)5-4-6-12(15)18/h4-6,10,13-14H,7-9H2,1-3H3,(H,19,21)/t13-,14+/m1/s1.
What are the key properties of 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide?
2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide has a molecular weight of 345.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-yl]benzamide is sourced from PubChem (CID 155515294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).