4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide

C23H30FN3O2 — CID 3218438

IUPAC4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H30FN3O2/c24-19-3-1-2-4-20(19)26-22(29)27-7-5-18(6-8-27)25-21(28)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-18H,5-14H2,(H,25,28)(H,26,29)
InChIKeyHJVZFBJDDKBHCX-UHFFFAOYSA-N
MW399.51 g/mol
LogP4.15
Rot. Bonds3

About 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide

4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 3218438) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID3218438
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H30FN3O2/c24-19-3-1-2-4-20(19)26-22(29)27-7-5-18(6-8-27)25-21(28)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-18H,5-14H2,(H,25,28)(H,26,29)
InChIKeyHJVZFBJDDKBHCX-UHFFFAOYSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 3218438) is 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is HJVZFBJDDKBHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c24-19-3-1-2-4-20(19)26-22(29)27-7-5-18(6-8-27)25-21(28)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-18H,5-14H2,(H,25,28)(H,26,29).
What are the key properties of 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide?
4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 399.51 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(adamantane-1-carbonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3218438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).