1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone

C16H25N3O2 — CID 119561742

IUPAC1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
SMILESCCc1c(C(=O)N2CCC(NC)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H25N3O2/c1-5-13-14(11(3)20)10(2)18-15(13)16(21)19-8-6-12(17-4)7-9-19/h12,17-18H,5-9H2,1-4H3
InChIKeyBLRQEUPJNGBSJZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone

1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone (PubChem CID 119561742) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
PubChem CID119561742
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
SMILESCCc1c(C(=O)N2CCC(NC)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H25N3O2/c1-5-13-14(11(3)20)10(2)18-15(13)16(21)19-8-6-12(17-4)7-9-19/h12,17-18H,5-9H2,1-4H3
InChIKeyBLRQEUPJNGBSJZ-UHFFFAOYSA-N
XLogP1.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119485122
1-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 120819242
1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 119663008
N-[1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 52671099
1-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119623871
1-[4-ethyl-2-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 120997022
1-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 120659774
(3S,4S)-1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952217
(2S)-1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366078
4-acetyl-3-ethyl-5-methyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 119451704
4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 15997837
1-[4-ethyl-2-methyl-5-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 76885270

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone (CID 119561742) is 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone is CCc1c(C(=O)N2CCC(NC)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone?
The InChIKey is BLRQEUPJNGBSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-13-14(11(3)20)10(2)18-15(13)16(21)19-8-6-12(17-4)7-9-19/h12,17-18H,5-9H2,1-4H3.
What are the key properties of 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone?
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 119561742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).