7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide

C18H21N3O — CID 174454085

IUPAC7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccccc2)CC1.c1cc2ccc1[nH]2
InChIInChI=1S/C12H16N2O.C6H5N/c13-12(15)10-6-8-14(9-7-10)11-4-2-1-3-5-11;1-2-6-4-3-5(1)7-6/h1-5,10H,6-9H2,(H2,13,15);1-4,7H
InChIKeyKRQFRDHAATWKHS-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.99
Rot. Bonds2

About 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide

7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide (PubChem CID 174454085) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide
PubChem CID174454085
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccccc2)CC1.c1cc2ccc1[nH]2
InChIInChI=1S/C12H16N2O.C6H5N/c13-12(15)10-6-8-14(9-7-10)11-4-2-1-3-5-11;1-2-6-4-3-5(1)7-6/h1-5,10H,6-9H2,(H2,13,15);1-4,7H
InChIKeyKRQFRDHAATWKHS-UHFFFAOYSA-N
XLogP2.99
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenylpiperidine-4-carboxamide;1-phenylpyridin-1-ium-4-carboxamide;chloride
CID 158132452
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
carbamic acid;1-phenylpiperidine
CID 161473217
1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 127267019
1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
CID 45156919
1-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 67036773
(E)-4-[3-(4-carbamoylpiperidin-1-yl)phenoxy]-4-oxobut-2-enoic acid
CID 67650542
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid
CID 106820681
1-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]piperidine-4-carboxamide
CID 24780737
1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138681
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide?
The IUPAC name of 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide (CID 174454085) is 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide?
The canonical SMILES for 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide is NC(=O)C1CCN(c2ccccc2)CC1.c1cc2ccc1[nH]2.
What is the InChIKey of 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide?
The InChIKey is KRQFRDHAATWKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C6H5N/c13-12(15)10-6-8-14(9-7-10)11-4-2-1-3-5-11;1-2-6-4-3-5(1)7-6/h1-5,10H,6-9H2,(H2,13,15);1-4,7H.
What are the key properties of 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide?
7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 174454085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).