(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

C16H22N6O — CID 37392327

IUPAC(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1cccn1)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C16H22N6O/c23-16(19-5-2-10-22-11-3-6-20-22)14-4-1-9-21(13-14)15-12-17-7-8-18-15/h3,6-8,11-12,14H,1-2,4-5,9-10,13H2,(H,19,23)/t14-/m1/s1
InChIKeyUDZHWRCWBUKVCY-CQSZACIVSA-N
MW314.39 g/mol
LogP1.10
Rot. Bonds6

About (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 37392327) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID37392327
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1cccn1)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C16H22N6O/c23-16(19-5-2-10-22-11-3-6-20-22)14-4-1-9-21(13-14)15-12-17-7-8-18-15/h3,6-8,11-12,14H,1-2,4-5,9-10,13H2,(H,19,23)/t14-/m1/s1
InChIKeyUDZHWRCWBUKVCY-CQSZACIVSA-N
XLogP1.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(1-pyrazin-2-ylpiperidin-3-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779237
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603700
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965
(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950392
N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 86925418
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434

Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (CID 37392327) is (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is O=C(NCCCn1cccn1)[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is UDZHWRCWBUKVCY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N6O/c23-16(19-5-2-10-22-11-3-6-20-22)14-4-1-9-21(13-14)15-12-17-7-8-18-15/h3,6-8,11-12,14H,1-2,4-5,9-10,13H2,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 37392327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).