4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile

C17H19N3 — CID 14144309

IUPAC4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESCc1c(-c2ccccc2)[nH]c(N2CCCCC2)c1C#N
InChIInChI=1S/C17H19N3/c1-13-15(12-18)17(20-10-6-3-7-11-20)19-16(13)14-8-4-2-5-9-14/h2,4-5,8-9,19H,3,6-7,10-11H2,1H3
InChIKeyDKCKHFVGSJQRFG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.85
Rot. Bonds2

About 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile

4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile (PubChem CID 14144309) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
PubChem CID14144309
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESCc1c(-c2ccccc2)[nH]c(N2CCCCC2)c1C#N
InChIInChI=1S/C17H19N3/c1-13-15(12-18)17(20-10-6-3-7-11-20)19-16(13)14-8-4-2-5-9-14/h2,4-5,8-9,19H,3,6-7,10-11H2,1H3
InChIKeyDKCKHFVGSJQRFG-UHFFFAOYSA-N
XLogP3.85
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-pyridin-3-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930320
5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930371
4-methyl-2-(2-oxopyrrolidin-1-yl)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 15871296
4-methyl-2-(methylamino)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 15871301
2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile
CID 164686950
3-benzyl-2-methyl-4-phenyl-6-piperidin-1-ylbenzonitrile
CID 138966498
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
CID 6403511
2-(dimethoxymethyl)-4-phenyl-6-piperidin-1-ylbenzonitrile
CID 11221380
6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile
CID 168585718
3-methyl-2,4-dioxo-6-phenyl-1H-pyrimidine-5-carbonitrile
CID 675286
3-methyl-1-piperidin-1-yl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
CID 4746887

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile (CID 14144309) is 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile is Cc1c(-c2ccccc2)[nH]c(N2CCCCC2)c1C#N.
What is the InChIKey of 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is DKCKHFVGSJQRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-15(12-18)17(20-10-6-3-7-11-20)19-16(13)14-8-4-2-5-9-14/h2,4-5,8-9,19H,3,6-7,10-11H2,1H3.
What are the key properties of 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile?
4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 14144309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).