2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride

C23H34ClN3O3 — CID 171712317

IUPAC2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Cc3ccc(CC(=O)N4CCOCC4)cc3)C2)CCCC1
InChIInChI=1S/C23H33N3O3.ClH/c24-23(8-1-2-9-23)22(28)26-10-7-20(17-26)15-18-3-5-19(6-4-18)16-21(27)25-11-13-29-14-12-25;/h3-6,20H,1-2,7-17,24H2;1H
InChIKeyPFLYNTJKYRXPBJ-UHFFFAOYSA-N
MW436.00 g/mol
LogP2.17
Rot. Bonds5

About 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride

2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride (PubChem CID 171712317) has the molecular formula C23H34ClN3O3 and a molecular weight of 436.00 g/mol. Its IUPAC name is 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride
PubChem CID171712317
Molecular FormulaC23H34ClN3O3
Molecular Weight436.00 g/mol
Exact Mass435.23
IUPAC Name2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Cc3ccc(CC(=O)N4CCOCC4)cc3)C2)CCCC1
InChIInChI=1S/C23H33N3O3.ClH/c24-23(8-1-2-9-23)22(28)26-10-7-20(17-26)15-18-3-5-19(6-4-18)16-21(27)25-11-13-29-14-12-25;/h3-6,20H,1-2,7-17,24H2;1H
InChIKeyPFLYNTJKYRXPBJ-UHFFFAOYSA-N
XLogP2.17
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride with MolForge

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Related Compounds

acetic acid;4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]-N-(oxan-4-yl)benzamide
CID 171712512
(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171712189
(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171709660
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119314460
(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 171325435
acetic acid;[3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 171709821
2-(4-cyclohexylphenyl)-1-morpholin-4-ylethanone
CID 110767551
(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587
[4-(aminomethyl)oxan-4-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 120930210
1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide
CID 110675153

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride (CID 171712317) is 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride is Cl.NC1(C(=O)N2CCC(Cc3ccc(CC(=O)N4CCOCC4)cc3)C2)CCCC1.
What is the InChIKey of 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride?
The InChIKey is PFLYNTJKYRXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3.ClH/c24-23(8-1-2-9-23)22(28)26-10-7-20(17-26)15-18-3-5-19(6-4-18)16-21(27)25-11-13-29-14-12-25;/h3-6,20H,1-2,7-17,24H2;1H.
What are the key properties of 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride?
2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride has a molecular weight of 436.00 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 171712317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).