N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide

C21H34N4O3S — CID 11524646

IUPACN-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)C(C)C)CC3)CC2)c1
InChIInChI=1S/C21H34N4O3S/c1-17(2)29(27,28)25-9-7-19(8-10-25)16-23-11-13-24(14-12-23)21-6-4-5-20(15-21)22-18(3)26/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,22,26)
InChIKeyIKQRMTVLIXROJJ-UHFFFAOYSA-N
MW422.60 g/mol
LogP2.22
Rot. Bonds6

About N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide

N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 11524646) has the molecular formula C21H34N4O3S and a molecular weight of 422.60 g/mol. Its IUPAC name is N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide
PubChem CID11524646
Molecular FormulaC21H34N4O3S
Molecular Weight422.60 g/mol
Exact Mass422.24
IUPAC NameN-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)C(C)C)CC3)CC2)c1
InChIInChI=1S/C21H34N4O3S/c1-17(2)29(27,28)25-9-7-19(8-10-25)16-23-11-13-24(14-12-23)21-6-4-5-20(15-21)22-18(3)26/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,22,26)
InChIKeyIKQRMTVLIXROJJ-UHFFFAOYSA-N
XLogP2.22
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide (CID 11524646) is N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)C(C)C)CC3)CC2)c1.
What is the InChIKey of N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is IKQRMTVLIXROJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3S/c1-17(2)29(27,28)25-9-7-19(8-10-25)16-23-11-13-24(14-12-23)21-6-4-5-20(15-21)22-18(3)26/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,22,26).
What are the key properties of N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 422.60 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 11524646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).