4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide

C21H30N2O4 — CID 108558056

IUPAC4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)CCC(C)=O)CC2)cc1
InChIInChI=1S/C21H30N2O4/c1-3-4-17-6-8-19(9-7-17)27-15-21(26)23-13-11-18(12-14-23)22-20(25)10-5-16(2)24/h6-9,18H,3-5,10-15H2,1-2H3,(H,22,25)
InChIKeyWSMRWEKQMDLBED-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.49
Rot. Bonds9

About 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide

4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide (PubChem CID 108558056) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
PubChem CID108558056
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)CCC(C)=O)CC2)cc1
InChIInChI=1S/C21H30N2O4/c1-3-4-17-6-8-19(9-7-17)27-15-21(26)23-13-11-18(12-14-23)22-20(25)10-5-16(2)24/h6-9,18H,3-5,10-15H2,1-2H3,(H,22,25)
InChIKeyWSMRWEKQMDLBED-UHFFFAOYSA-N
XLogP2.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
3-(4-chlorophenyl)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108556618
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548532
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555909
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide?
The IUPAC name of 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide (CID 108558056) is 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide.
What is the SMILES notation for 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide?
The canonical SMILES for 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide is CCCc1ccc(OCC(=O)N2CCC(NC(=O)CCC(C)=O)CC2)cc1.
What is the InChIKey of 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide?
The InChIKey is WSMRWEKQMDLBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-3-4-17-6-8-19(9-7-17)27-15-21(26)23-13-11-18(12-14-23)22-20(25)10-5-16(2)24/h6-9,18H,3-5,10-15H2,1-2H3,(H,22,25).
What are the key properties of 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide?
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide has a molecular weight of 374.48 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide is sourced from PubChem (CID 108558056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).