3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide

C23H33N3O3 — CID 66630058

IUPAC3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(Oc2ccc(C(=O)N3CC4CCC(CC4)C3)cc2)C1
InChIInChI=1S/C23H33N3O3/c1-2-12-24-23(28)25-13-11-21(16-25)29-20-9-7-19(8-10-20)22(27)26-14-17-3-4-18(15-26)6-5-17/h7-10,17-18,21H,2-6,11-16H2,1H3,(H,24,28)
InChIKeyDKRXKSMMYWXZEK-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.52
Rot. Bonds5

About 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide

3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide (PubChem CID 66630058) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide
PubChem CID66630058
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(Oc2ccc(C(=O)N3CC4CCC(CC4)C3)cc2)C1
InChIInChI=1S/C23H33N3O3/c1-2-12-24-23(28)25-13-11-21(16-25)29-20-9-7-19(8-10-20)22(27)26-14-17-3-4-18(15-26)6-5-17/h7-10,17-18,21H,2-6,11-16H2,1H3,(H,24,28)
InChIKeyDKRXKSMMYWXZEK-UHFFFAOYSA-N
XLogP3.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 58032837
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone
CID 124560162
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide
CID 121197651
3-phenoxy-N-(2-propan-2-ylsulfanylethyl)pyrrolidine-1-carboxamide
CID 122561495
N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340085
(1-hydroxypyridin-1-ium-4-yl)-[(3R)-3-(4-methoxyphenoxy)pyrrolidin-1-yl]methanone
CID 58357528
2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
CID 42306322
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
(3R)-3-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenoxy]pyrrolidine-1-carboxylic acid
CID 71231946
4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812235

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide (CID 66630058) is 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCC(Oc2ccc(C(=O)N3CC4CCC(CC4)C3)cc2)C1.
What is the InChIKey of 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide?
The InChIKey is DKRXKSMMYWXZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-2-12-24-23(28)25-13-11-21(16-25)29-20-9-7-19(8-10-20)22(27)26-14-17-3-4-18(15-26)6-5-17/h7-10,17-18,21H,2-6,11-16H2,1H3,(H,24,28).
What are the key properties of 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide?
3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 66630058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).