N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C23H29FN2O2 — CID 45221537

IUPACN-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C23H29FN2O2/c24-20-4-2-1-3-16(20)12-26-13-17(5-6-21(26)27)23(28)25-22-18-8-14-7-15(10-18)11-19(22)9-14/h1-4,14-15,17-19,22H,5-13H2,(H,25,28)
InChIKeyBTAJUOHPOPKNJQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.51
Rot. Bonds4

About N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45221537) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID45221537
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C23H29FN2O2/c24-20-4-2-1-3-16(20)12-26-13-17(5-6-21(26)27)23(28)25-22-18-8-14-7-15(10-18)11-19(22)9-14/h1-4,14-15,17-19,22H,5-13H2,(H,25,28)
InChIKeyBTAJUOHPOPKNJQ-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 45221537) is N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is BTAJUOHPOPKNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c24-20-4-2-1-3-16(20)12-26-13-17(5-6-21(26)27)23(28)25-22-18-8-14-7-15(10-18)11-19(22)9-14/h1-4,14-15,17-19,22H,5-13H2,(H,25,28).
What are the key properties of N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45221537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).