[1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

C24H34N4O3 — CID 118302787

IUPAC[1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCC(CN[C@@H]3CC3c3ccccc3)(COC)CC2)cn1
InChIInChI=1S/C24H34N4O3/c1-30-13-12-28-16-20(15-26-28)23(29)27-10-8-24(9-11-27,18-31-2)17-25-22-14-21(22)19-6-4-3-5-7-19/h3-7,15-16,21-22,25H,8-14,17-18H2,1-2H3/t21?,22-/m1/s1
InChIKeyJYVXKQLLHLQPIH-FOIFJWKZSA-N
MW426.56 g/mol
LogP2.54
Rot. Bonds10

About [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

[1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 118302787) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
PubChem CID118302787
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name[1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCC(CN[C@@H]3CC3c3ccccc3)(COC)CC2)cn1
InChIInChI=1S/C24H34N4O3/c1-30-13-12-28-16-20(15-26-28)23(29)27-10-8-24(9-11-27,18-31-2)17-25-22-14-21(22)19-6-4-3-5-7-19/h3-7,15-16,21-22,25H,8-14,17-18H2,1-2H3/t21?,22-/m1/s1
InChIKeyJYVXKQLLHLQPIH-FOIFJWKZSA-N
XLogP2.54
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US9994546, Example 80
CID 118297896
US9670210, Example 42 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(1-methyl-1H-pyrazol-3-yl)carbonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302743
US9670210, Example 103 2-(4-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}-1H-pyrazol-1-yl)ethanol
CID 118302751
US9670210, Example 108 2-(3-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}-1H-pyrazol-1-yl)ethanol
CID 118302752
US9670210, Example 105 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302816
US9670210, Example 106 3-(4-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}-1H-pyrazol-1-yl)propanenitrile
CID 118302846
N-cyclopentyl-1-isopropyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-1H-pyrazole-4-carboxamide
CID 42287068
2-ethyl-9-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72859563
[4-[Benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916238
1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 26319465
N-(1-benzylpiperidin-4-yl)-1-methylpyrazole-4-carboxamide
CID 45796471
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-benzylpyrazole-4-carboxamide
CID 45804989

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (CID 118302787) is [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is COCCn1cc(C(=O)N2CCC(CN[C@@H]3CC3c3ccccc3)(COC)CC2)cn1.
What is the InChIKey of [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The InChIKey is JYVXKQLLHLQPIH-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-30-13-12-28-16-20(15-26-28)23(29)27-10-8-24(9-11-27,18-31-2)17-25-22-14-21(22)19-6-4-3-5-7-19/h3-7,15-16,21-22,25H,8-14,17-18H2,1-2H3/t21?,22-/m1/s1.
What are the key properties of [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
[1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 426.56 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118302787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).