[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone

C20H25FN2O — CID 98220392

IUPAC[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(NC[C@@H]2C[C@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C20H25FN2O/c21-19-4-2-1-3-18(19)20(24)23-9-7-17(8-10-23)22-13-16-12-14-5-6-15(16)11-14/h1-6,14-17,22H,7-13H2/t14-,15-,16-/m0/s1
InChIKeyHXKMNEBTLISIDP-JYJNAYRXSA-N
MW328.43 g/mol
LogP3.23
Rot. Bonds4

About [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone

[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 98220392) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID98220392
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(NC[C@@H]2C[C@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C20H25FN2O/c21-19-4-2-1-3-18(19)20(24)23-9-7-17(8-10-23)22-13-16-12-14-5-6-15(16)11-14/h1-6,14-17,22H,7-13H2/t14-,15-,16-/m0/s1
InChIKeyHXKMNEBTLISIDP-JYJNAYRXSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111056
(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 119126691
(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone
CID 119108021
(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 86808741
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone (CID 98220392) is [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC(NC[C@@H]2C[C@H]3C=C[C@H]2C3)CC1.
What is the InChIKey of [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is HXKMNEBTLISIDP-JYJNAYRXSA-N. The full InChI is InChI=1S/C20H25FN2O/c21-19-4-2-1-3-18(19)20(24)23-9-7-17(8-10-23)22-13-16-12-14-5-6-15(16)11-14/h1-6,14-17,22H,7-13H2/t14-,15-,16-/m0/s1.
What are the key properties of [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone?
[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 328.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 98220392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).