3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide

C20H25N3O3S — CID 86263582

IUPAC3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H25N3O3S/c24-20(10-15-27(25,26)19-4-2-1-3-5-19)22-16-17-8-13-23(14-9-17)18-6-11-21-12-7-18/h1-7,11-12,17H,8-10,13-16H2,(H,22,24)
InChIKeyJKFQUNMCRGRGMK-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.28
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide

3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide (PubChem CID 86263582) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
PubChem CID86263582
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H25N3O3S/c24-20(10-15-27(25,26)19-4-2-1-3-5-19)22-16-17-8-13-23(14-9-17)18-6-11-21-12-7-18/h1-7,11-12,17H,8-10,13-16H2,(H,22,24)
InChIKeyJKFQUNMCRGRGMK-UHFFFAOYSA-N
XLogP2.28
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide (CID 86263582) is 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
The InChIKey is JKFQUNMCRGRGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(10-15-27(25,26)19-4-2-1-3-5-19)22-16-17-8-13-23(14-9-17)18-6-11-21-12-7-18/h1-7,11-12,17H,8-10,13-16H2,(H,22,24).
What are the key properties of 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 86263582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).