N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide

C17H24N2O3S — CID 167788597

IUPACN-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CC2CCCS2(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C17H24N2O3S/c20-17(14-5-2-1-3-6-14)18-15-8-10-19(11-9-15)13-16-7-4-12-23(16,21)22/h1-3,5-6,15-16H,4,7-13H2,(H,18,20)
InChIKeyDSTKIEMIRWRBGQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.46
Rot. Bonds4

About N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide

N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 167788597) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide
PubChem CID167788597
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CC2CCCS2(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C17H24N2O3S/c20-17(14-5-2-1-3-6-14)18-15-8-10-19(11-9-15)13-16-7-4-12-23(16,21)22/h1-3,5-6,15-16H,4,7-13H2,(H,18,20)
InChIKeyDSTKIEMIRWRBGQ-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide
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N-(1-tert-butylpiperidin-4-yl)benzamide
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N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
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N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
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CID 1103952

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide (CID 167788597) is N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CC2CCCS2(=O)=O)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is DSTKIEMIRWRBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(14-5-2-1-3-6-14)18-15-8-10-19(11-9-15)13-16-7-4-12-23(16,21)22/h1-3,5-6,15-16H,4,7-13H2,(H,18,20).
What are the key properties of N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide?
N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 336.46 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 167788597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).