3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride

C16H23ClFN3O — CID 119927376

IUPAC3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride
SMILESCl.O=C(CCN1CCC2CCC(C1)N2)Nc1cccc(F)c1
InChIInChI=1S/C16H22FN3O.ClH/c17-12-2-1-3-14(10-12)19-16(21)7-9-20-8-6-13-4-5-15(11-20)18-13;/h1-3,10,13,15,18H,4-9,11H2,(H,19,21);1H
InChIKeySVJBVEKQUHNDKN-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.40
Rot. Bonds4

About 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride

3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride (PubChem CID 119927376) has the molecular formula C16H23ClFN3O and a molecular weight of 327.83 g/mol. Its IUPAC name is 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride
PubChem CID119927376
Molecular FormulaC16H23ClFN3O
Molecular Weight327.83 g/mol
Exact Mass327.15
IUPAC Name3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride
SMILESCl.O=C(CCN1CCC2CCC(C1)N2)Nc1cccc(F)c1
InChIInChI=1S/C16H22FN3O.ClH/c17-12-2-1-3-14(10-12)19-16(21)7-9-20-8-6-13-4-5-15(11-20)18-13;/h1-3,10,13,15,18H,4-9,11H2,(H,19,21);1H
InChIKeySVJBVEKQUHNDKN-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide
CID 81491276
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 127266929
N-(3-fluorophenyl)-3-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]propanamide
CID 124513966
N-(3-fluorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63248996
3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide
CID 71915085
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,5-dichlorophenyl)propanamide
CID 119927708
N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55864910
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
3-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 47532762

Frequently Asked Questions

What is the IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride (CID 119927376) is 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride is Cl.O=C(CCN1CCC2CCC(C1)N2)Nc1cccc(F)c1.
What is the InChIKey of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride?
The InChIKey is SVJBVEKQUHNDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O.ClH/c17-12-2-1-3-14(10-12)19-16(21)7-9-20-8-6-13-4-5-15(11-20)18-13;/h1-3,10,13,15,18H,4-9,11H2,(H,19,21);1H.
What are the key properties of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride?
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride has a molecular weight of 327.83 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119927376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).