N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide

C24H30N4O3 — CID 175645484

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CCC3(CCN(Cc4ccccn4)C3=O)C2)cc1
InChIInChI=1S/C24H30N4O3/c1-31-21-7-5-19(6-8-21)9-13-26-22(29)17-27-14-10-24(18-27)11-15-28(23(24)30)16-20-4-2-3-12-25-20/h2-8,12H,9-11,13-18H2,1H3,(H,26,29)
InChIKeyLWHDAMRXUSJCQB-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.87
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide (PubChem CID 175645484) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
PubChem CID175645484
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CCC3(CCN(Cc4ccccn4)C3=O)C2)cc1
InChIInChI=1S/C24H30N4O3/c1-31-21-7-5-19(6-8-21)9-13-26-22(29)17-27-14-10-24(18-27)11-15-28(23(24)30)16-20-4-2-3-12-25-20/h2-8,12H,9-11,13-18H2,1H3,(H,26,29)
InChIKeyLWHDAMRXUSJCQB-UHFFFAOYSA-N
XLogP1.87
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645180
7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642186
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501478
7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502958
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
2,8-bis(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 171693389
4-[4-(4-acetylphenyl)phenyl]-N-[(4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 101408949

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide (CID 175645484) is N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide is COc1ccc(CCNC(=O)CN2CCC3(CCN(Cc4ccccn4)C3=O)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide?
The InChIKey is LWHDAMRXUSJCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-31-21-7-5-19(6-8-21)9-13-26-22(29)17-27-14-10-24(18-27)11-15-28(23(24)30)16-20-4-2-3-12-25-20/h2-8,12H,9-11,13-18H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide is sourced from PubChem (CID 175645484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).