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

C23H33N3O5 — CID 108552532

IUPACN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C23H33N3O5/c1-4-30-19-7-5-6-8-20(19)31-15-22(28)25-11-9-18(10-12-25)24-23(29)17-13-21(27)26(14-17)16(2)3/h5-8,16-18H,4,9-15H2,1-3H3,(H,24,29)
InChIKeyRZHNNUUHYAIFKZ-UHFFFAOYSA-N
MW431.53 g/mol
LogP1.83
Rot. Bonds8

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

N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108552532) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108552532
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC NameN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C23H33N3O5/c1-4-30-19-7-5-6-8-20(19)31-15-22(28)25-11-9-18(10-12-25)24-23(29)17-13-21(27)26(14-17)16(2)3/h5-8,16-18H,4,9-15H2,1-3H3,(H,24,29)
InChIKeyRZHNNUUHYAIFKZ-UHFFFAOYSA-N
XLogP1.83
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552579
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552516
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
N,N-diethyl-4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxamide
CID 108560686
N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552495
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679
prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564964
tert-butyl N-[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919622
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550593

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108552532) is N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCOc1ccccc1OCC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RZHNNUUHYAIFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-4-30-19-7-5-6-8-20(19)31-15-22(28)25-11-9-18(10-12-25)24-23(29)17-13-21(27)26(14-17)16(2)3/h5-8,16-18H,4,9-15H2,1-3H3,(H,24,29).
What are the key properties of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108552532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).