2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride

C18H28Cl2N4O2 — CID 119839701

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H26N4O2.2ClH/c23-18(11-13-9-14-1-2-15(10-13)20-14)21-16-3-4-17(19-12-16)22-5-7-24-8-6-22;;/h3-4,12-15,20H,1-2,5-11H2,(H,21,23);2*1H
InChIKeyZCEPHZFQQXWLQI-UHFFFAOYSA-N
MW403.35 g/mol
LogP2.62
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride (PubChem CID 119839701) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride
PubChem CID119839701
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H26N4O2.2ClH/c23-18(11-13-9-14-1-2-15(10-13)20-14)21-16-3-4-17(19-12-16)22-5-7-24-8-6-22;;/h3-4,12-15,20H,1-2,5-11H2,(H,21,23);2*1H
InChIKeyZCEPHZFQQXWLQI-UHFFFAOYSA-N
XLogP2.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119712383
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879379
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18133630
N-(6-anilino-3-pyridinyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119870635
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793699
2-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329220
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 71943578

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride (CID 119839701) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride is Cl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride?
The InChIKey is ZCEPHZFQQXWLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c23-18(11-13-9-14-1-2-15(10-13)20-14)21-16-3-4-17(19-12-16)22-5-7-24-8-6-22;;/h3-4,12-15,20H,1-2,5-11H2,(H,21,23);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride is sourced from PubChem (CID 119839701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).