(1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C24H29FN2O4 — CID 90698126

IUPAC(1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESNC(=O)C12CC3CC(CC(C3)C1OC(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C24H29FN2O4/c25-19-3-1-16(2-4-19)21(28)27-7-5-17(6-8-27)22(29)31-20-18-10-14-9-15(11-18)13-24(20,12-14)23(26)30/h1-4,14-15,17-18,20H,5-13H2,(H2,26,30)
InChIKeyVTQFIGCBSZEVQP-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.90
Rot. Bonds4

About (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate

(1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 90698126) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID90698126
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name(1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESNC(=O)C12CC3CC(CC(C3)C1OC(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C24H29FN2O4/c25-19-3-1-16(2-4-19)21(28)27-7-5-17(6-8-27)22(29)31-20-18-10-14-9-15(11-18)13-24(20,12-14)23(26)30/h1-4,14-15,17-18,20H,5-13H2,(H2,26,30)
InChIKeyVTQFIGCBSZEVQP-UHFFFAOYSA-N
XLogP2.90
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 8923714
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360135
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740015
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405547
4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91712006
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739997

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 90698126) is (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate is NC(=O)C12CC3CC(CC(C3)C1OC(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)C2.
What is the InChIKey of (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is VTQFIGCBSZEVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c25-19-3-1-16(2-4-19)21(28)27-7-5-17(6-8-27)22(29)31-20-18-10-14-9-15(11-18)13-24(20,12-14)23(26)30/h1-4,14-15,17-18,20H,5-13H2,(H2,26,30).
What are the key properties of (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
(1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 428.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-2-adamantyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 90698126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).