N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

C20H33N3O3S — CID 113136961

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H33N3O3S/c1-16(2)15-23(27(4,25)26)14-11-20(24)21-18-5-7-19(8-6-18)22-12-9-17(3)10-13-22/h5-8,16-17H,9-15H2,1-4H3,(H,21,24)
InChIKeyQYBZHHKOYUFWSR-UHFFFAOYSA-N
MW395.57 g/mol
LogP3.17
Rot. Bonds8

About N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136961) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
PubChem CID113136961
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H33N3O3S/c1-16(2)15-23(27(4,25)26)14-11-20(24)21-18-5-7-19(8-6-18)22-12-9-17(3)10-13-22/h5-8,16-17H,9-15H2,1-4H3,(H,21,24)
InChIKeyQYBZHHKOYUFWSR-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113153332
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113136398
3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113122956
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148588
N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136957
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113116063
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679108

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (CID 113136961) is N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is CC(C)CN(CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The InChIKey is QYBZHHKOYUFWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-16(2)15-23(27(4,25)26)14-11-20(24)21-18-5-7-19(8-6-18)22-12-9-17(3)10-13-22/h5-8,16-17H,9-15H2,1-4H3,(H,21,24).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide has a molecular weight of 395.57 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).