N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide

C23H37N3O3S — CID 60558334

IUPACN-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N3O3S/c1-3-15-25-18-13-21(14-19-25)24(2)23(27)12-9-20-7-10-22(11-8-20)30(28,29)26-16-5-4-6-17-26/h7-8,10-11,21H,3-6,9,12-19H2,1-2H3
InChIKeyCBUJXBIMWQRTIL-UHFFFAOYSA-N
MW435.63 g/mol
LogP3.13
Rot. Bonds8

About N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide

N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 60558334) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID60558334
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC NameN-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N3O3S/c1-3-15-25-18-13-21(14-19-25)24(2)23(27)12-9-20-7-10-22(11-8-20)30(28,29)26-16-5-4-6-17-26/h7-8,10-11,21H,3-6,9,12-19H2,1-2H3
InChIKeyCBUJXBIMWQRTIL-UHFFFAOYSA-N
XLogP3.13
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119442142
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119551317
N-(cyclohexylmethyl)-N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60535288
(2S)-2-methyl-3-[methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 97234343
N-ethyl-N-(2-hydroxyethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 78855409
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51191477
3-[ethyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 119190952
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
CID 38390372
N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 52742496

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide (CID 60558334) is N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide?
The InChIKey is CBUJXBIMWQRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-3-15-25-18-13-21(14-19-25)24(2)23(27)12-9-20-7-10-22(11-8-20)30(28,29)26-16-5-4-6-17-26/h7-8,10-11,21H,3-6,9,12-19H2,1-2H3.
What are the key properties of N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide?
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 435.63 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 60558334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).