(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride

C19H26ClN3O2 — CID 119375625

IUPAC(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-n2c(C)cc(C(=O)N3CCC(N)CC3)c2C)cc1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-13-12-18(19(23)21-10-8-15(20)9-11-21)14(2)22(13)16-4-6-17(24-3)7-5-16;/h4-7,12,15H,8-11,20H2,1-3H3;1H
InChIKeyLBBTZCSBMVONMA-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.09
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride (PubChem CID 119375625) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
PubChem CID119375625
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-n2c(C)cc(C(=O)N3CCC(N)CC3)c2C)cc1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-13-12-18(19(23)21-10-8-15(20)9-11-21)14(2)22(13)16-4-6-17(24-3)7-5-16;/h4-7,12,15H,8-11,20H2,1-3H3;1H
InChIKeyLBBTZCSBMVONMA-UHFFFAOYSA-N
XLogP3.09
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119412128
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545610
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 111561461
(4-aminopiperidin-1-yl)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 119372805
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541169
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119638007
[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119595513
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119633448
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119633449
[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 55972979
1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55933864
(4-aminopiperidin-1-yl)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119375203

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride (CID 119375625) is (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride is COc1ccc(-n2c(C)cc(C(=O)N3CCC(N)CC3)c2C)cc1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride?
The InChIKey is LBBTZCSBMVONMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c1-13-12-18(19(23)21-10-8-15(20)9-11-21)14(2)22(13)16-4-6-17(24-3)7-5-16;/h4-7,12,15H,8-11,20H2,1-3H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119375625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).