3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine

C19H23N5 — CID 129490933

IUPAC3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1C[C@@H]1CCCN(Cc2cccc3[nH]ccc23)C1
InChIInChI=1S/C19H23N5/c20-19-18(22-8-9-23-19)11-14-3-2-10-24(12-14)13-15-4-1-5-17-16(15)6-7-21-17/h1,4-9,14,21H,2-3,10-13H2,(H2,20,23)/t14-/m0/s1
InChIKeyYLGBMNAVNMKKAE-AWEZNQCLSA-N
MW321.43 g/mol
LogP2.99
Rot. Bonds4

About 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine

3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 129490933) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
PubChem CID129490933
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1C[C@@H]1CCCN(Cc2cccc3[nH]ccc23)C1
InChIInChI=1S/C19H23N5/c20-19-18(22-8-9-23-19)11-14-3-2-10-24(12-14)13-15-4-1-5-17-16(15)6-7-21-17/h1,4-9,14,21H,2-3,10-13H2,(H2,20,23)/t14-/m0/s1
InChIKeyYLGBMNAVNMKKAE-AWEZNQCLSA-N
XLogP2.99
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine 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

3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113201
2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
CID 155986420
4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole
CID 97153671
3-[[1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113118
3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113122
3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113146
3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 125025118
3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 125024022
3-[[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 124963052
4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 129374249
2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 125019773
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine (CID 129490933) is 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine is Nc1nccnc1C[C@@H]1CCCN(Cc2cccc3[nH]ccc23)C1.
What is the InChIKey of 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is YLGBMNAVNMKKAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5/c20-19-18(22-8-9-23-19)11-14-3-2-10-24(12-14)13-15-4-1-5-17-16(15)6-7-21-17/h1,4-9,14,21H,2-3,10-13H2,(H2,20,23)/t14-/m0/s1.
What are the key properties of 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 321.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 129490933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).