[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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Related Compounds

[4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 22135736
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119545280
N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58933589
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine
CID 22135591
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897908
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119647354
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 110611250
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442

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).