[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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Related Compounds

3-[3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]pyrazol-1-yl]propanenitrile
CID 118302854
(6-aminopyridazin-3-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302832
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 118290857
tert-butyl 4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118319880
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123698897
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 102737857
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874619
[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474457

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).