1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide

C21H28N2O — CID 130269307

IUPAC1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC1CC(c1ccccc1)(C3)C2
InChIInChI=1S/C21H28N2O/c24-19(23-18-6-8-22-9-7-18)21-12-15-10-17(21)13-20(11-15,14-21)16-4-2-1-3-5-16/h1-5,15,17-18,22H,6-14H2,(H,23,24)
InChIKeyYVWGASPMGNDMNW-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.00
Rot. Bonds3

About 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide

1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 130269307) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID130269307
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC1CC(c1ccccc1)(C3)C2
InChIInChI=1S/C21H28N2O/c24-19(23-18-6-8-22-9-7-18)21-12-15-10-17(21)13-20(11-15,14-21)16-4-2-1-3-5-16/h1-5,15,17-18,22H,6-14H2,(H,23,24)
InChIKeyYVWGASPMGNDMNW-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 130269307) is 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide is O=C(NC1CCNCC1)C12CC3CC1CC(c1ccccc1)(C3)C2.
What is the InChIKey of 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is YVWGASPMGNDMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c24-19(23-18-6-8-22-9-7-18)21-12-15-10-17(21)13-20(11-15,14-21)16-4-2-1-3-5-16/h1-5,15,17-18,22H,6-14H2,(H,23,24).
What are the key properties of 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 130269307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).