(2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C18H21FN4O — CID 99852507

IUPAC(2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCc2c(F)cccc21)N1CCCC[C@H]1c1cn[nH]c1
InChIInChI=1S/C18H21FN4O/c19-15-5-3-4-14-13(15)7-8-16(14)22-18(24)23-9-2-1-6-17(23)12-10-20-21-11-12/h3-5,10-11,16-17H,1-2,6-9H2,(H,20,21)(H,22,24)/t16-,17-/m0/s1
InChIKeyLYBILMPFKDJGSU-IRXDYDNUSA-N
MW328.39 g/mol
LogP3.47
Rot. Bonds2

About (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 99852507) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID99852507
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name(2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCc2c(F)cccc21)N1CCCC[C@H]1c1cn[nH]c1
InChIInChI=1S/C18H21FN4O/c19-15-5-3-4-14-13(15)7-8-16(14)22-18(24)23-9-2-1-6-17(23)12-10-20-21-11-12/h3-5,10-11,16-17H,1-2,6-9H2,(H,20,21)(H,22,24)/t16-,17-/m0/s1
InChIKeyLYBILMPFKDJGSU-IRXDYDNUSA-N
XLogP3.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
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N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 99852507) is (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(N[C@H]1CCc2c(F)cccc21)N1CCCC[C@H]1c1cn[nH]c1.
What is the InChIKey of (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is LYBILMPFKDJGSU-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-5-3-4-14-13(15)7-8-16(14)22-18(24)23-9-2-1-6-17(23)12-10-20-21-11-12/h3-5,10-11,16-17H,1-2,6-9H2,(H,20,21)(H,22,24)/t16-,17-/m0/s1.
What are the key properties of (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99852507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).