3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine

C19H23N5 — CID 110113201

IUPAC3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1CC1CCCN(Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C19H23N5/c20-19-18(22-7-8-23-19)11-14-2-1-9-24(12-14)13-15-3-4-16-5-6-21-17(16)10-15/h3-8,10,14,21H,1-2,9,11-13H2,(H2,20,23)
InChIKeyRMMFWMUBOPWPKN-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.99
Rot. Bonds4

About 3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine

3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 110113201) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
PubChem CID110113201
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1CC1CCCN(Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C19H23N5/c20-19-18(22-7-8-23-19)11-14-2-1-9-24(12-14)13-15-3-4-16-5-6-21-17(16)10-15/h3-8,10,14,21H,1-2,9,11-13H2,(H2,20,23)
InChIKeyRMMFWMUBOPWPKN-UHFFFAOYSA-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

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Related Compounds

3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113146
3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 129490933
3-[[1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113118
2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 125019773
3-[[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 124963052
3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113122
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
2-[[1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 166274402
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide
CID 31053727
2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 110152190

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine (CID 110113201) is 3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine is Nc1nccnc1CC1CCCN(Cc2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is RMMFWMUBOPWPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c20-19-18(22-7-8-23-19)11-14-2-1-9-24(12-14)13-15-3-4-16-5-6-21-17(16)10-15/h3-8,10,14,21H,1-2,9,11-13H2,(H2,20,23).
What are the key properties of 3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
3-[[1-(1H-indol-6-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-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 110113201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).