[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone

C18H22N2O3 — CID 70758566

IUPAC[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
SMILESCOc1ccccc1OC1CCN(C(=O)c2cc(C)c[nH]2)CC1
InChIInChI=1S/C18H22N2O3/c1-13-11-15(19-12-13)18(21)20-9-7-14(8-10-20)23-17-6-4-3-5-16(17)22-2/h3-6,11-12,14,19H,7-10H2,1-2H3
InChIKeyWGDGIHMSCSCJGT-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.02
Rot. Bonds4

About [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone

[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone (PubChem CID 70758566) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
PubChem CID70758566
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
SMILESCOc1ccccc1OC1CCN(C(=O)c2cc(C)c[nH]2)CC1
InChIInChI=1S/C18H22N2O3/c1-13-11-15(19-12-13)18(21)20-9-7-14(8-10-20)23-17-6-4-3-5-16(17)22-2/h3-6,11-12,14,19H,7-10H2,1-2H3
InChIKeyWGDGIHMSCSCJGT-UHFFFAOYSA-N
XLogP3.02
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70717882
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 95872118
6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]piperazin-2-one
CID 70743927
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70749250
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone (CID 70758566) is [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone is COc1ccccc1OC1CCN(C(=O)c2cc(C)c[nH]2)CC1.
What is the InChIKey of [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The InChIKey is WGDGIHMSCSCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-11-15(19-12-13)18(21)20-9-7-14(8-10-20)23-17-6-4-3-5-16(17)22-2/h3-6,11-12,14,19H,7-10H2,1-2H3.
What are the key properties of [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone has a molecular weight of 314.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 70758566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).