(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide

C16H24N4O2 — CID 7296485

IUPAC(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C16H24N4O2/c1-2-3-4-7-19-15(21)13-6-5-10-20(12-13)16(22)14-11-17-8-9-18-14/h8-9,11,13H,2-7,10,12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyILRLPFBNJLWPGS-ZDUSSCGKSA-N
MW304.39 g/mol
LogP1.64
Rot. Bonds6

About (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide

(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 7296485) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
PubChem CID7296485
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C16H24N4O2/c1-2-3-4-7-19-15(21)13-6-5-10-20(12-13)16(22)14-11-17-8-9-18-14/h8-9,11,13H,2-7,10,12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyILRLPFBNJLWPGS-ZDUSSCGKSA-N
XLogP1.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 6946276
(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 816652
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923

Frequently Asked Questions

What is the IUPAC name of (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (CID 7296485) is (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is CCCCCNC(=O)[C@H]1CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ILRLPFBNJLWPGS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-3-4-7-19-15(21)13-6-5-10-20(12-13)16(22)14-11-17-8-9-18-14/h8-9,11,13H,2-7,10,12H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 7296485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).