(4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone

C14H23N3O — CID 119375051

IUPAC(4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
SMILESCCn1c(C)cc(C(=O)N2CCC(N)CC2)c1C
InChIInChI=1S/C14H23N3O/c1-4-17-10(2)9-13(11(17)3)14(18)16-7-5-12(15)6-8-16/h9,12H,4-8,15H2,1-3H3
InChIKeyFEVNAUWIUZUDTO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone

(4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone (PubChem CID 119375051) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
PubChem CID119375051
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
SMILESCCn1c(C)cc(C(=O)N2CCC(N)CC2)c1C
InChIInChI=1S/C14H23N3O/c1-4-17-10(2)9-13(11(17)3)14(18)16-7-5-12(15)6-8-16/h9,12H,4-8,15H2,1-3H3
InChIKeyFEVNAUWIUZUDTO-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119423503
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434119
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023367
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95877164
(4-aminopiperidin-1-yl)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 119372805
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 56817989
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 126810852
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 75443653
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124686397
(4-aminopiperidin-1-yl)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119375203
4-[(3R)-1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97196981
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119375625

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone (CID 119375051) is (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone is CCn1c(C)cc(C(=O)N2CCC(N)CC2)c1C.
What is the InChIKey of (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone?
The InChIKey is FEVNAUWIUZUDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17-10(2)9-13(11(17)3)14(18)16-7-5-12(15)6-8-16/h9,12H,4-8,15H2,1-3H3.
What are the key properties of (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone?
(4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 119375051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).