4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide

C22H29ClFN3O — CID 44592344

IUPAC4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)N1CCC(NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C22H29ClFN3O/c23-17-1-2-20(19(24)12-17)26-22(28)27-5-3-18(4-6-27)25-21-15-8-13-7-14(10-15)11-16(21)9-13/h1-2,12-16,18,21,25H,3-11H2,(H,26,28)
InChIKeyHAHVJZYYIZLSRB-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.89
Rot. Bonds3

About 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide

4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 44592344) has the molecular formula C22H29ClFN3O and a molecular weight of 405.95 g/mol. Its IUPAC name is 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide
PubChem CID44592344
Molecular FormulaC22H29ClFN3O
Molecular Weight405.95 g/mol
Exact Mass405.20
IUPAC Name4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)N1CCC(NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C22H29ClFN3O/c23-17-1-2-20(19(24)12-17)26-22(28)27-5-3-18(4-6-27)25-21-15-8-13-7-14(10-15)11-16(21)9-13/h1-2,12-16,18,21,25H,3-11H2,(H,26,28)
InChIKeyHAHVJZYYIZLSRB-UHFFFAOYSA-N
XLogP4.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide (CID 44592344) is 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1F)N1CCC(NC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is HAHVJZYYIZLSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClFN3O/c23-17-1-2-20(19(24)12-17)26-22(28)27-5-3-18(4-6-27)25-21-15-8-13-7-14(10-15)11-16(21)9-13/h1-2,12-16,18,21,25H,3-11H2,(H,26,28).
What are the key properties of 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide?
4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 405.95 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44592344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).