(1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide

C18H24FN3O — CID 131949101

IUPAC(1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide
SMILESNC(=O)[C@@H]1CC=CC[C@H]1NC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O/c19-15-6-2-4-8-17(15)22-11-9-13(10-12-22)21-16-7-3-1-5-14(16)18(20)23/h1-4,6,8,13-14,16,21H,5,7,9-12H2,(H2,20,23)/t14-,16-/m1/s1
InChIKeyJDSHZPYXYLKCMZ-GDBMZVCRSA-N
MW317.41 g/mol
LogP2.20
Rot. Bonds4

About (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide

(1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide (PubChem CID 131949101) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide
PubChem CID131949101
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name(1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide
SMILESNC(=O)[C@@H]1CC=CC[C@H]1NC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O/c19-15-6-2-4-8-17(15)22-11-9-13(10-12-22)21-16-7-3-1-5-14(16)18(20)23/h1-4,6,8,13-14,16,21H,5,7,9-12H2,(H2,20,23)/t14-,16-/m1/s1
InChIKeyJDSHZPYXYLKCMZ-GDBMZVCRSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138
2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
CID 91798372
(2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125441594
[4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 131939878
N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122564098
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 68812324
N-[1-(2-fluorophenyl)piperidin-4-yl]pyrimidin-2-amine
CID 141014633
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide (CID 131949101) is (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide is NC(=O)[C@@H]1CC=CC[C@H]1NC1CCN(c2ccccc2F)CC1.
What is the InChIKey of (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide?
The InChIKey is JDSHZPYXYLKCMZ-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24FN3O/c19-15-6-2-4-8-17(15)22-11-9-13(10-12-22)21-16-7-3-1-5-14(16)18(20)23/h1-4,6,8,13-14,16,21H,5,7,9-12H2,(H2,20,23)/t14-,16-/m1/s1.
What are the key properties of (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide?
(1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 131949101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).