N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide

C30H37N3O3S — CID 10324369

IUPACN-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC(c2ccccc2)N(C)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C30H37N3O3S/c1-3-30(34)33(26-15-9-5-10-16-26)27-19-22-32(23-20-27)24-21-29(25-13-7-4-8-14-25)31(2)37(35,36)28-17-11-6-12-18-28/h4-18,27,29H,3,19-24H2,1-2H3
InChIKeyVBZHISRVAAGXGQ-UHFFFAOYSA-N
MW519.71 g/mol
LogP5.35
Rot. Bonds10

About N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 10324369) has the molecular formula C30H37N3O3S and a molecular weight of 519.71 g/mol. Its IUPAC name is N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID10324369
Molecular FormulaC30H37N3O3S
Molecular Weight519.71 g/mol
Exact Mass519.26
IUPAC NameN-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC(c2ccccc2)N(C)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C30H37N3O3S/c1-3-30(34)33(26-15-9-5-10-16-26)27-19-22-32(23-20-27)24-21-29(25-13-7-4-8-14-25)31(2)37(35,36)28-17-11-6-12-18-28/h4-18,27,29H,3,19-24H2,1-2H3
InChIKeyVBZHISRVAAGXGQ-UHFFFAOYSA-N
XLogP5.35
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.71
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-[3-[4-(1-ethyl-5-methyl-2H-pyrazin-3-yl)piperidin-1-yl]-1-phenylpropyl]-N-methylbenzenesulfonamide
CID 10005956
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide
CID 42858289
N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 153387671
N-[1-[2-(2,6-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 165361588

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide (CID 10324369) is N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCC(c2ccccc2)N(C)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is VBZHISRVAAGXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3S/c1-3-30(34)33(26-15-9-5-10-16-26)27-19-22-32(23-20-27)24-21-29(25-13-7-4-8-14-25)31(2)37(35,36)28-17-11-6-12-18-28/h4-18,27,29H,3,19-24H2,1-2H3.
What are the key properties of N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 519.71 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[benzenesulfonyl(methyl)amino]-3-phenylpropyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 10324369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).