(3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one

C18H24N4O2 — CID 99643162

IUPAC(3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one
SMILESCOc1cccc(N2CCC[C@@H](N[C@@H](C)Cn3cccn3)C2=O)c1
InChIInChI=1S/C18H24N4O2/c1-14(13-21-10-5-9-19-21)20-17-8-4-11-22(18(17)23)15-6-3-7-16(12-15)24-2/h3,5-7,9-10,12,14,17,20H,4,8,11,13H2,1-2H3/t14-,17+/m0/s1
InChIKeyRJTCZFLHPRZPIC-WMLDXEAASA-N
MW328.42 g/mol
LogP2.07
Rot. Bonds6

About (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one

(3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one (PubChem CID 99643162) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one
PubChem CID99643162
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one
SMILESCOc1cccc(N2CCC[C@@H](N[C@@H](C)Cn3cccn3)C2=O)c1
InChIInChI=1S/C18H24N4O2/c1-14(13-21-10-5-9-19-21)20-17-8-4-11-22(18(17)23)15-6-3-7-16(12-15)24-2/h3,5-7,9-10,12,14,17,20H,4,8,11,13H2,1-2H3/t14-,17+/m0/s1
InChIKeyRJTCZFLHPRZPIC-WMLDXEAASA-N
XLogP2.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one
CID 97103214
(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one
CID 124556502
(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94031022
1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one
CID 133372898
1-(3-bromo-5-methoxyphenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 82860337
(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330707
3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71870045
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94102282
3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 126782574
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
1-(1-methylpyrazol-4-yl)-3-(2-pyrazol-1-ylethylamino)piperidin-2-one
CID 127354102

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one?
The IUPAC name of (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one (CID 99643162) is (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one.
What is the SMILES notation for (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one?
The canonical SMILES for (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one is COc1cccc(N2CCC[C@@H](N[C@@H](C)Cn3cccn3)C2=O)c1.
What is the InChIKey of (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one?
The InChIKey is RJTCZFLHPRZPIC-WMLDXEAASA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(13-21-10-5-9-19-21)20-17-8-4-11-22(18(17)23)15-6-3-7-16(12-15)24-2/h3,5-7,9-10,12,14,17,20H,4,8,11,13H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one?
(3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 99643162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).