N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide

C20H23FN4O — CID 125161166

IUPACN-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)nc1)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H23FN4O/c21-19-8-6-17(14-22-19)23-20(26)25-11-9-24(10-12-25)18-7-5-15-3-1-2-4-16(15)13-18/h1-4,6,8,14,18H,5,7,9-13H2,(H,23,26)/t18-/m0/s1
InChIKeyGPIXURPEOMVGAE-SFHVURJKSA-N
MW354.43 g/mol
LogP2.93
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide

N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide (PubChem CID 125161166) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
PubChem CID125161166
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)nc1)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H23FN4O/c21-19-8-6-17(14-22-19)23-20(26)25-11-9-24(10-12-25)18-7-5-15-3-1-2-4-16(15)13-18/h1-4,6,8,14,18H,5,7,9-13H2,(H,23,26)/t18-/m0/s1
InChIKeyGPIXURPEOMVGAE-SFHVURJKSA-N
XLogP2.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
CID 126434125
N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
CID 97283042
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486
N-(6-chloro-3-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 10214947
N-(1,2-oxazol-3-ylmethyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
CID 126436027
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168
4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 126446363
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154924431
[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56908104

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide (CID 125161166) is N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide is O=C(Nc1ccc(F)nc1)N1CCN([C@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide?
The InChIKey is GPIXURPEOMVGAE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-19-8-6-17(14-22-19)23-20(26)25-11-9-24(10-12-25)18-7-5-15-3-1-2-4-16(15)13-18/h1-4,6,8,14,18H,5,7,9-13H2,(H,23,26)/t18-/m0/s1.
What are the key properties of N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide?
N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 125161166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).