(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide

C18H24N6O — CID 125007457

IUPAC(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(CCCc2cnccn2)CCCN(c2cnccn2)C1
InChIInChI=1S/C18H24N6O/c1-19-17(25)18(5-2-4-15-12-20-7-9-22-15)6-3-11-24(14-18)16-13-21-8-10-23-16/h7-10,12-13H,2-6,11,14H2,1H3,(H,19,25)/t18-/m0/s1
InChIKeyUNPKSEDEIRCGRH-SFHVURJKSA-N
MW340.43 g/mol
LogP1.62
Rot. Bonds6

About (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide

(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide (PubChem CID 125007457) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
PubChem CID125007457
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(CCCc2cnccn2)CCCN(c2cnccn2)C1
InChIInChI=1S/C18H24N6O/c1-19-17(25)18(5-2-4-15-12-20-7-9-22-15)6-3-11-24(14-18)16-13-21-8-10-23-16/h7-10,12-13H,2-6,11,14H2,1H3,(H,19,25)/t18-/m0/s1
InChIKeyUNPKSEDEIRCGRH-SFHVURJKSA-N
XLogP1.62
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide (CID 125007457) is (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide is CNC(=O)[C@@]1(CCCc2cnccn2)CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide?
The InChIKey is UNPKSEDEIRCGRH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N6O/c1-19-17(25)18(5-2-4-15-12-20-7-9-22-15)6-3-11-24(14-18)16-13-21-8-10-23-16/h7-10,12-13H,2-6,11,14H2,1H3,(H,19,25)/t18-/m0/s1.
What are the key properties of (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide?
(3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-pyrazin-2-yl-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 125007457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).