(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide

C21H28N4O2 — CID 95050441

IUPAC(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C21H28N4O2/c1-2-3-7-12-23-20(26)17-9-8-15-25(16-17)19-21(24-14-13-22-19)27-18-10-5-4-6-11-18/h4-6,10-11,13-14,17H,2-3,7-9,12,15-16H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyNBXKZYDGCFFTTM-KRWDZBQOSA-N
MW368.48 g/mol
LogP3.79
Rot. Bonds8

About (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide

(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 95050441) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
PubChem CID95050441
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C21H28N4O2/c1-2-3-7-12-23-20(26)17-9-8-15-25(16-17)19-21(24-14-13-22-19)27-18-10-5-4-6-11-18/h4-6,10-11,13-14,17H,2-3,7-9,12,15-16H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyNBXKZYDGCFFTTM-KRWDZBQOSA-N
XLogP3.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050447
(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897300
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
(3R)-N-[(2-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050375
(3S)-1-(3-phenoxypyrazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92897302
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-pentylpiperidine-3-carboxamide
CID 46392303
(3S)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085825
(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085824
(3R)-N-(4-bromo-2-methylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897295
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050366
(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050515

Frequently Asked Questions

What is the IUPAC name of (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide (CID 95050441) is (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide is CCCCCNC(=O)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1.
What is the InChIKey of (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is NBXKZYDGCFFTTM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-3-7-12-23-20(26)17-9-8-15-25(16-17)19-21(24-14-13-22-19)27-18-10-5-4-6-11-18/h4-6,10-11,13-14,17H,2-3,7-9,12,15-16H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide?
(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95050441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).