[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone

C22H28N4O2 — CID 22135717

IUPAC[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCOc1nc(C)cnc1NCC1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-15-13-23-20(21(25-15)28-2)24-14-16-8-10-26(11-9-16)22(27)19-12-18(19)17-6-4-3-5-7-17/h3-7,13,16,18-19H,8-12,14H2,1-2H3,(H,23,24)
InChIKeyOZFQBODLVQSCGF-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.25
Rot. Bonds6

About [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone

[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 22135717) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID22135717
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCOc1nc(C)cnc1NCC1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-15-13-23-20(21(25-15)28-2)24-14-16-8-10-26(11-9-16)22(27)19-12-18(19)17-6-4-3-5-7-17/h3-7,13,16,18-19H,8-12,14H2,1-2H3,(H,23,24)
InChIKeyOZFQBODLVQSCGF-UHFFFAOYSA-N
XLogP3.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone (CID 22135717) is [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone is COc1nc(C)cnc1NCC1CCN(C(=O)C2CC2c2ccccc2)CC1.
What is the InChIKey of [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is OZFQBODLVQSCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-13-23-20(21(25-15)28-2)24-14-16-8-10-26(11-9-16)22(27)19-12-18(19)17-6-4-3-5-7-17/h3-7,13,16,18-19H,8-12,14H2,1-2H3,(H,23,24).
What are the key properties of [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 380.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 22135717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).