2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide

C16H21ClN2O3 — CID 154785534

IUPAC2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2CCCNC2=O)c1Cl
InChIInChI=1S/C16H21ClN2O3/c1-10(2)22-13-7-3-6-12(14(13)17)16(21)19-9-11-5-4-8-18-15(11)20/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNZVKZGUNBPIQLD-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.38
Rot. Bonds5

About 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide

2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide (PubChem CID 154785534) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide
PubChem CID154785534
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2CCCNC2=O)c1Cl
InChIInChI=1S/C16H21ClN2O3/c1-10(2)22-13-7-3-6-12(14(13)17)16(21)19-9-11-5-4-8-18-15(11)20/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNZVKZGUNBPIQLD-UHFFFAOYSA-N
XLogP2.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide?
The IUPAC name of 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide (CID 154785534) is 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NCC2CCCNC2=O)c1Cl.
What is the InChIKey of 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide?
The InChIKey is NZVKZGUNBPIQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-10(2)22-13-7-3-6-12(14(13)17)16(21)19-9-11-5-4-8-18-15(11)20/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide?
2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide has a molecular weight of 324.81 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 154785534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).