[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone

C20H24N2O3 — CID 71979424

IUPAC[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
SMILESCCOCC1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-2-25-14-15-4-3-11-22(13-15)20(24)17-7-5-16(6-8-17)19(23)18-9-10-21-12-18/h5-10,12,15,21H,2-4,11,13-14H2,1H3
InChIKeyRROCBXWLKVMQET-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.13
Rot. Bonds6

About [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone

[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone (PubChem CID 71979424) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
PubChem CID71979424
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
SMILESCCOCC1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-2-25-14-15-4-3-11-22(13-15)20(24)17-7-5-16(6-8-17)19(23)18-9-10-21-12-18/h5-10,12,15,21H,2-4,11,13-14H2,1H3
InChIKeyRROCBXWLKVMQET-UHFFFAOYSA-N
XLogP3.13
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
[4-[3-(methylsulfanylmethyl)pyrrolidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
CID 71863408
[4-[(3S)-3-(methylsulfanylmethyl)pyrrolidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
CID 96527837
(3-bromo-4-methoxyphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110610262
6-[3-(ethoxymethyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 119129886
[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110602769
2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110617196
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031
[4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride
CID 119564155

Frequently Asked Questions

What is the IUPAC name of [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone (CID 71979424) is [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone is CCOCC1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1.
What is the InChIKey of [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is RROCBXWLKVMQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-25-14-15-4-3-11-22(13-15)20(24)17-7-5-16(6-8-17)19(23)18-9-10-21-12-18/h5-10,12,15,21H,2-4,11,13-14H2,1H3.
What are the key properties of [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone?
[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 71979424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).