[4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone

C21H26N4O2 — CID 22135736

IUPAC[4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCOc1nccnc1NCC1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-27-20-19(22-9-10-23-20)24-14-15-7-11-25(12-8-15)21(26)18-13-17(18)16-5-3-2-4-6-16/h2-6,9-10,15,17-18H,7-8,11-14H2,1H3,(H,22,24)
InChIKeyKMFQVOGSRLZEHM-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.94
Rot. Bonds6

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

[4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 22135736) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID22135736
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCOc1nccnc1NCC1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-27-20-19(22-9-10-23-20)24-14-15-7-11-25(12-8-15)21(26)18-13-17(18)16-5-3-2-4-6-16/h2-6,9-10,15,17-18H,7-8,11-14H2,1H3,(H,22,24)
InChIKeyKMFQVOGSRLZEHM-UHFFFAOYSA-N
XLogP2.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone with MolForge

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Related Compounds

[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 22135717
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58933589
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897908
4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135613
[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119545280
[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643265
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 174960082
N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide
CID 23577298

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone (CID 22135736) is [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone is COc1nccnc1NCC1CCN(C(=O)C2CC2c2ccccc2)CC1.
What is the InChIKey of [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is KMFQVOGSRLZEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-27-20-19(22-9-10-23-20)24-14-15-7-11-25(12-8-15)21(26)18-13-17(18)16-5-3-2-4-6-16/h2-6,9-10,15,17-18H,7-8,11-14H2,1H3,(H,22,24).
What are the key properties of [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
[4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 366.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 22135736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).