[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone

C20H25N3O2 — CID 95590699

IUPAC[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCn1cc([C@@H]2C[C@@H]2C(=O)N2CCC(OCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H25N3O2/c1-22-13-16(12-21-22)18-11-19(18)20(24)23-9-7-17(8-10-23)25-14-15-5-3-2-4-6-15/h2-6,12-13,17-19H,7-11,14H2,1H3/t18-,19-/m0/s1
InChIKeyVTZGQYLCFOLLIB-OALUTQOASA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds5

About [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone

[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 95590699) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID95590699
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCn1cc([C@@H]2C[C@@H]2C(=O)N2CCC(OCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H25N3O2/c1-22-13-16(12-21-22)18-11-19(18)20(24)23-9-7-17(8-10-23)25-14-15-5-3-2-4-6-15/h2-6,12-13,17-19H,7-11,14H2,1H3/t18-,19-/m0/s1
InChIKeyVTZGQYLCFOLLIB-OALUTQOASA-N
XLogP2.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 56821626
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95590694
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590778
cyclobutyloxymethylbenzene;1-methylpyrazole-4-carboxylic acid
CID 169144832
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95585732
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
[(2R)-4-benzyl-2-methylpiperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124840211
(4-cyclopentylpiperazin-1-yl)-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590740
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590738
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334365
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334362

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone (CID 95590699) is [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone is Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC(OCc3ccccc3)CC2)cn1.
What is the InChIKey of [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is VTZGQYLCFOLLIB-OALUTQOASA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-13-16(12-21-22)18-11-19(18)20(24)23-9-7-17(8-10-23)25-14-15-5-3-2-4-6-15/h2-6,12-13,17-19H,7-11,14H2,1H3/t18-,19-/m0/s1.
What are the key properties of [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone?
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 95590699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).