(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C19H25N3O3 — CID 95768673

IUPAC(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cccc(CO[C@@H](C)C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1
InChIInChI=1S/C19H25N3O3/c1-14(25-13-15-5-3-7-17(11-15)24-2)19(23)22-10-4-6-16(12-22)18-8-9-20-21-18/h3,5,7-9,11,14,16H,4,6,10,12-13H2,1-2H3,(H,20,21)/t14-,16-/m0/s1
InChIKeyNNXRFFPQBAPTMJ-HOCLYGCPSA-N
MW343.43 g/mol
LogP2.73
Rot. Bonds6

About (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 95768673) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID95768673
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cccc(CO[C@@H](C)C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1
InChIInChI=1S/C19H25N3O3/c1-14(25-13-15-5-3-7-17(11-15)24-2)19(23)22-10-4-6-16(12-22)18-8-9-20-21-18/h3,5,7-9,11,14,16H,4,6,10,12-13H2,1-2H3,(H,20,21)/t14-,16-/m0/s1
InChIKeyNNXRFFPQBAPTMJ-HOCLYGCPSA-N
XLogP2.73
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 138015038
(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95736530
N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760381
1-(4-aminopiperidin-1-yl)-2-[(3-methoxyphenyl)methoxy]propan-1-one;hydrochloride
CID 119374710
1-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]piperidine-4-carboxamide
CID 39717828
(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371716
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
2-[4-[(2S)-2-[(3-methoxyphenyl)methoxy]propanoyl]-1,4-diazepan-1-yl]acetamide
CID 95584798
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42844172
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249761

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 95768673) is (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is COc1cccc(CO[C@@H](C)C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1.
What is the InChIKey of (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is NNXRFFPQBAPTMJ-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(25-13-15-5-3-7-17(11-15)24-2)19(23)22-10-4-6-16(12-22)18-8-9-20-21-18/h3,5,7-9,11,14,16H,4,6,10,12-13H2,1-2H3,(H,20,21)/t14-,16-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95768673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).