1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one

C23H30N2O2 — CID 70770080

IUPAC1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
SMILESCCn1c(C)cc(C(=O)N2CCCC(C(=O)CCc3ccccc3)C2)c1C
InChIInChI=1S/C23H30N2O2/c1-4-25-17(2)15-21(18(25)3)23(27)24-14-8-11-20(16-24)22(26)13-12-19-9-6-5-7-10-19/h5-7,9-10,15,20H,4,8,11-14,16H2,1-3H3
InChIKeyUUGNZVMLXAALOZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.18
Rot. Bonds6

About 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one

1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one (PubChem CID 70770080) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
PubChem CID70770080
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
SMILESCCn1c(C)cc(C(=O)N2CCCC(C(=O)CCc3ccccc3)C2)c1C
InChIInChI=1S/C23H30N2O2/c1-4-25-17(2)15-21(18(25)3)23(27)24-14-8-11-20(16-24)22(26)13-12-19-9-6-5-7-10-19/h5-7,9-10,15,20H,4,8,11-14,16H2,1-3H3
InChIKeyUUGNZVMLXAALOZ-UHFFFAOYSA-N
XLogP4.18
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
CID 70760484
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
4-[(3R)-1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97196981
(3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119379195
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110880506
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575161
2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 96577086
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119594525
[1-(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286856
3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70732162
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 97145071
(4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119375051

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one (CID 70770080) is 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one is CCn1c(C)cc(C(=O)N2CCCC(C(=O)CCc3ccccc3)C2)c1C.
What is the InChIKey of 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is UUGNZVMLXAALOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-25-17(2)15-21(18(25)3)23(27)24-14-8-11-20(16-24)22(26)13-12-19-9-6-5-7-10-19/h5-7,9-10,15,20H,4,8,11-14,16H2,1-3H3.
What are the key properties of 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 366.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 70770080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).