2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride

C20H28ClN3O3 — CID 119712383

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H27N3O3.ClH/c24-19(13-14-11-17-5-6-18(12-14)21-17)22-16-3-1-15(2-4-16)20(25)23-7-9-26-10-8-23;/h1-4,14,17-18,21H,5-13H2,(H,22,24);1H
InChIKeyNRLSFLMADYOMSD-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.44
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride (PubChem CID 119712383) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
PubChem CID119712383
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H27N3O3.ClH/c24-19(13-14-11-17-5-6-18(12-14)21-17)22-16-3-1-15(2-4-16)20(25)23-7-9-26-10-8-23;/h1-4,14,17-18,21H,5-13H2,(H,22,24);1H
InChIKeyNRLSFLMADYOMSD-UHFFFAOYSA-N
XLogP2.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 119703964
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride
CID 119839701
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793699
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119759904
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119668960
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 119740957
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide
CID 119867943
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868270

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride (CID 119712383) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
The InChIKey is NRLSFLMADYOMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c24-19(13-14-11-17-5-6-18(12-14)21-17)22-16-3-1-15(2-4-16)20(25)23-7-9-26-10-8-23;/h1-4,14,17-18,21H,5-13H2,(H,22,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119712383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).