N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide

C18H23N3O2 — CID 119637482

IUPACN-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC3CCC(C2)N3)c1)C1CC1
InChIInChI=1S/C18H23N3O2/c22-17(12-4-5-12)20-15-3-1-2-13(10-15)18(23)21-9-8-14-6-7-16(11-21)19-14/h1-3,10,12,14,16,19H,4-9,11H2,(H,20,22)
InChIKeyWMBONJZXGGMMDC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.00
Rot. Bonds3

About N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide

N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide (PubChem CID 119637482) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
PubChem CID119637482
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC3CCC(C2)N3)c1)C1CC1
InChIInChI=1S/C18H23N3O2/c22-17(12-4-5-12)20-15-3-1-2-13(10-15)18(23)21-9-8-14-6-7-16(11-21)19-14/h1-3,10,12,14,16,19H,4-9,11H2,(H,20,22)
InChIKeyWMBONJZXGGMMDC-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]urea;hydrochloride
CID 119639329
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120995374
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
CID 119634838
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119638414

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide (CID 119637482) is N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(C(=O)N2CCC3CCC(C2)N3)c1)C1CC1.
What is the InChIKey of N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide?
The InChIKey is WMBONJZXGGMMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(12-4-5-12)20-15-3-1-2-13(10-15)18(23)21-9-8-14-6-7-16(11-21)19-14/h1-3,10,12,14,16,19H,4-9,11H2,(H,20,22).
What are the key properties of N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide?
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 119637482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).