[4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C17H28N4O2 — CID 149261967

IUPAC[4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOCC1(CN[C@@H]2C[C@H]2C)CCN(C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-13-10-15(13)18-11-17(12-23-3)5-8-21(9-6-17)16(22)14-4-7-20(2)19-14/h4,7,13,15,18H,5-6,8-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyXPKDUIRFYQOIBN-UKRRQHHQSA-N
MW320.44 g/mol
LogP1.29
Rot. Bonds6

About [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 149261967) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID149261967
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name[4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOCC1(CN[C@@H]2C[C@H]2C)CCN(C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-13-10-15(13)18-11-17(12-23-3)5-8-21(9-6-17)16(22)14-4-7-20(2)19-14/h4,7,13,15,18H,5-6,8-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyXPKDUIRFYQOIBN-UKRRQHHQSA-N
XLogP1.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 149261967) is [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is COCC1(CN[C@@H]2C[C@H]2C)CCN(C(=O)c2ccn(C)n2)CC1.
What is the InChIKey of [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is XPKDUIRFYQOIBN-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-10-15(13)18-11-17(12-23-3)5-8-21(9-6-17)16(22)14-4-7-20(2)19-14/h4,7,13,15,18H,5-6,8-12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 320.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 149261967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).