piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone

C16H18N2O — CID 1472874

IUPACpiperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCCCC1
InChIInChI=1S/C16H18N2O/c19-16(18-12-2-1-3-13-18)14-6-8-15(9-7-14)17-10-4-5-11-17/h4-11H,1-3,12-13H2
InChIKeyIPROXEHVSRNGAP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.10
Rot. Bonds2

About piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone

piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 1472874) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
PubChem CID1472874
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Namepiperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCCCC1
InChIInChI=1S/C16H18N2O/c19-16(18-12-2-1-3-13-18)14-6-8-15(9-7-14)17-10-4-5-11-17/h4-11H,1-3,12-13H2
InChIKeyIPROXEHVSRNGAP-UHFFFAOYSA-N
XLogP3.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 110803719
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122334710
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110810041
2-phenyl-1-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108545585
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone (CID 1472874) is piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is IPROXEHVSRNGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(18-12-2-1-3-13-18)14-6-8-15(9-7-14)17-10-4-5-11-17/h4-11H,1-3,12-13H2.
What are the key properties of piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone?
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 254.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 1472874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).