(4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone

C14H23N3O — CID 62347311

IUPAC(4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCCn1cc(N)cc1C(=O)N1CCC(C)CC1C
InChIInChI=1S/C14H23N3O/c1-4-16-9-12(15)8-13(16)14(18)17-6-5-10(2)7-11(17)3/h8-11H,4-7,15H2,1-3H3
InChIKeyWVXKCFOPCRTXSX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.35
Rot. Bonds2

About (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone

(4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone (PubChem CID 62347311) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
PubChem CID62347311
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCCn1cc(N)cc1C(=O)N1CCC(C)CC1C
InChIInChI=1S/C14H23N3O/c1-4-16-9-12(15)8-13(16)14(18)17-6-5-10(2)7-11(17)3/h8-11H,4-7,15H2,1-3H3
InChIKeyWVXKCFOPCRTXSX-UHFFFAOYSA-N
XLogP2.35
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-(1-ethyl-4-nitropyrrol-2-yl)methanone
CID 115312251
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
4-(4-amino-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063038
(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642024
4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 64733612
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 55061421
(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107185001
(4-amino-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330069
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106835
(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81459512

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone (CID 62347311) is (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone is CCn1cc(N)cc1C(=O)N1CCC(C)CC1C.
What is the InChIKey of (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is WVXKCFOPCRTXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-16-9-12(15)8-13(16)14(18)17-6-5-10(2)7-11(17)3/h8-11H,4-7,15H2,1-3H3.
What are the key properties of (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone?
(4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62347311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).