(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 125018214
(2R)-1-(2-hydroxyethyl)-N-methyl-2-(3-pyrazin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 125003817
(3R)-N,N-dimethyl-1-[2-(methylamino)acetyl]-3-(3-pyrazin-2-ylpropyl)piperidine-3-carboxamide
CID 125013693
(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid
CID 95804911
(3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid
CID 95220617
1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide
CID 125012481
1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110258311
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110123556
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-[(4aS,7aR)-6-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N-methylacetamide
CID 124802555
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988701

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).