[1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone

C21H27N3O3 — CID 136533760

IUPAC[1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cn(C)nc3C3CCOC3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-15-3-5-17(6-4-15)27-18-7-10-24(11-8-18)21(25)19-13-23(2)22-20(19)16-9-12-26-14-16/h3-6,13,16,18H,7-12,14H2,1-2H3
InChIKeyIHRDPMBUSPHPFE-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.92
Rot. Bonds4

About [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone

[1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone (PubChem CID 136533760) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
PubChem CID136533760
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name[1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cn(C)nc3C3CCOC3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-15-3-5-17(6-4-15)27-18-7-10-24(11-8-18)21(25)19-13-23(2)22-20(19)16-9-12-26-14-16/h3-6,13,16,18H,7-12,14H2,1-2H3
InChIKeyIHRDPMBUSPHPFE-UHFFFAOYSA-N
XLogP2.92
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 128992476
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70765790
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 167117214
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 136538400
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 67380784
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone (CID 136533760) is [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3cn(C)nc3C3CCOC3)CC2)cc1.
What is the InChIKey of [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The InChIKey is IHRDPMBUSPHPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-3-5-17(6-4-15)27-18-7-10-24(11-8-18)21(25)19-13-23(2)22-20(19)16-9-12-26-14-16/h3-6,13,16,18H,7-12,14H2,1-2H3.
What are the key properties of [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
[1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone has a molecular weight of 369.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 136533760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).