N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide

C31H43N3O4S — CID 10209551

IUPACN-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide
SMILESCCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(NC(=O)C2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C31H43N3O4S/c1-3-34(30(35)23-24-13-15-28(16-14-24)39(2,37)38)27-17-20-33(21-18-27)22-19-29(25-9-5-4-6-10-25)32-31(36)26-11-7-8-12-26/h4-6,9-10,13-16,26-27,29H,3,7-8,11-12,17-23H2,1-2H3,(H,32,36)
InChIKeyXCBMHQOAZXETKK-UHFFFAOYSA-N
MW553.77 g/mol
LogP4.38
Rot. Bonds11

About N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide

N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide (PubChem CID 10209551) has the molecular formula C31H43N3O4S and a molecular weight of 553.77 g/mol. Its IUPAC name is N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide
PubChem CID10209551
Molecular FormulaC31H43N3O4S
Molecular Weight553.77 g/mol
Exact Mass553.30
IUPAC NameN-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide
SMILESCCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(NC(=O)C2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C31H43N3O4S/c1-3-34(30(35)23-24-13-15-28(16-14-24)39(2,37)38)27-17-20-33(21-18-27)22-19-29(25-9-5-4-6-10-25)32-31(36)26-11-7-8-12-26/h4-6,9-10,13-16,26-27,29H,3,7-8,11-12,17-23H2,1-2H3,(H,32,36)
InChIKeyXCBMHQOAZXETKK-UHFFFAOYSA-N
XLogP4.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.77
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopropanecarboxamide
CID 10142994
1-(4-acetamidophenyl)sulfonyl-N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]piperidine-4-carboxamide
CID 5276415
N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 10129271
N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 10312305
N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide
CID 57330016
N-[1-[(3R)-3-chloro-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
CID 58822451
N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 10218769
N-ethyl-N-[1-[3-(4-ethylsulfonylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 57403931
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[(3R)-3-phenyl-3-piperidin-4-ylpropyl]piperidin-4-yl]acetamide
CID 58919605
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-(3-phenyl-3-piperidin-4-ylpropyl)piperidin-4-yl]acetamide
CID 18442950
N-[1-[3-(4-benzoylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
CID 3011718
N-[(1S)-3-[2-[(4-methylsulfonylphenyl)methyl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 59998728

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide (CID 10209551) is N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide is CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(NC(=O)C2CCCC2)c2ccccc2)CC1.
What is the InChIKey of N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide?
The InChIKey is XCBMHQOAZXETKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O4S/c1-3-34(30(35)23-24-13-15-28(16-14-24)39(2,37)38)27-17-20-33(21-18-27)22-19-29(25-9-5-4-6-10-25)32-31(36)26-11-7-8-12-26/h4-6,9-10,13-16,26-27,29H,3,7-8,11-12,17-23H2,1-2H3,(H,32,36).
What are the key properties of N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide?
N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide has a molecular weight of 553.77 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide is sourced from PubChem (CID 10209551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).