(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

C15H26ClN3O — CID 119577534

IUPAC(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNC(C)C2)c(C)n1C(C)C.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-10(2)18-12(4)8-14(13(18)5)15(19)17-7-6-16-11(3)9-17;/h8,10-11,16H,6-7,9H2,1-5H3;1H
InChIKeyRXCNZNFUQKCBFU-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.54
Rot. Bonds2

About (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119577534) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119577534
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNC(C)C2)c(C)n1C(C)C.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-10(2)18-12(4)8-14(13(18)5)15(19)17-7-6-16-11(3)9-17;/h8,10-11,16H,6-7,9H2,1-5H3;1H
InChIKeyRXCNZNFUQKCBFU-UHFFFAOYSA-N
XLogP2.54
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110698941
(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124682210
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119489255
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539527
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395956
(2-bromo-5-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427506
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
(5-fluoro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579929
(3-methylpiperazin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119576277
(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119578302
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804556

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119577534) is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCNC(C)C2)c(C)n1C(C)C.Cl.
What is the InChIKey of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is RXCNZNFUQKCBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.ClH/c1-10(2)18-12(4)8-14(13(18)5)15(19)17-7-6-16-11(3)9-17;/h8,10-11,16H,6-7,9H2,1-5H3;1H.
What are the key properties of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119577534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).