(2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C16H20FN3O — CID 125441594

IUPAC(2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2F)CC1)[C@@H]1C=CCN1
InChIInChI=1S/C16H20FN3O/c17-13-4-1-2-6-15(13)20-10-7-12(8-11-20)19-16(21)14-5-3-9-18-14/h1-6,12,14,18H,7-11H2,(H,19,21)/t14-/m0/s1
InChIKeyHTDDCAAQRQAWPI-AWEZNQCLSA-N
MW289.35 g/mol
LogP1.44
Rot. Bonds3

About (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide

(2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 125441594) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID125441594
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2F)CC1)[C@@H]1C=CCN1
InChIInChI=1S/C16H20FN3O/c17-13-4-1-2-6-15(13)20-10-7-12(8-11-20)19-16(21)14-5-3-9-18-14/h1-6,12,14,18H,7-11H2,(H,19,21)/t14-/m0/s1
InChIKeyHTDDCAAQRQAWPI-AWEZNQCLSA-N
XLogP1.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.44
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-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122564098
(3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124756572
(1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide
CID 131949101
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97117554
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
(3aS,6aR)-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 128683584

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 125441594) is (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide is O=C(NC1CCN(c2ccccc2F)CC1)[C@@H]1C=CCN1.
What is the InChIKey of (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is HTDDCAAQRQAWPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-13-4-1-2-6-15(13)20-10-7-12(8-11-20)19-16(21)14-5-3-9-18-14/h1-6,12,14,18H,7-11H2,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125441594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).