N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C23H33N3O4 — CID 108552579

IUPACN-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C23H33N3O4/c1-4-17-7-5-6-8-20(17)30-15-22(28)25-11-9-19(10-12-25)24-23(29)18-13-21(27)26(14-18)16(2)3/h5-8,16,18-19H,4,9-15H2,1-3H3,(H,24,29)
InChIKeyBDLLKPRZKFHWDT-UHFFFAOYSA-N
MW415.53 g/mol
LogP1.99
Rot. Bonds7

About N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108552579) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108552579
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C23H33N3O4/c1-4-17-7-5-6-8-20(17)30-15-22(28)25-11-9-19(10-12-25)24-23(29)18-13-21(27)26(14-18)16(2)3/h5-8,16,18-19H,4,9-15H2,1-3H3,(H,24,29)
InChIKeyBDLLKPRZKFHWDT-UHFFFAOYSA-N
XLogP1.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552532
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552516
N,N-diethyl-4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxamide
CID 108560686
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552495
2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023413

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108552579) is N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCc1ccccc1OCC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is BDLLKPRZKFHWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-4-17-7-5-6-8-20(17)30-15-22(28)25-11-9-19(10-12-25)24-23(29)18-13-21(27)26(14-18)16(2)3/h5-8,16,18-19H,4,9-15H2,1-3H3,(H,24,29).
What are the key properties of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108552579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).