6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride

C15H30ClN3O — CID 120903615

IUPAC6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride
SMILESCC(C)N1C(=O)CN(CC2(C)CCNC2)CC1(C)C.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-12(2)18-13(19)8-17(10-14(18,3)4)11-15(5)6-7-16-9-15;/h12,16H,6-11H2,1-5H3;1H
InChIKeyYYBVUJXTDKTZAN-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.74
Rot. Bonds3

About 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride

6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride (PubChem CID 120903615) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride
PubChem CID120903615
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC Name6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride
SMILESCC(C)N1C(=O)CN(CC2(C)CCNC2)CC1(C)C.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-12(2)18-13(19)8-17(10-14(18,3)4)11-15(5)6-7-16-9-15;/h12,16H,6-11H2,1-5H3;1H
InChIKeyYYBVUJXTDKTZAN-UHFFFAOYSA-N
XLogP1.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride with MolForge

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Related Compounds

2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 75374977
3-(2-methoxyethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 120905292
3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120902688
1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one
CID 120905183
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
2-[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 120898244
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554
2-(4-bromophenoxy)-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120903359
N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898228
1-[1-(4-bromophenyl)ethyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120903857

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride?
The IUPAC name of 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride (CID 120903615) is 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride?
The canonical SMILES for 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride is CC(C)N1C(=O)CN(CC2(C)CCNC2)CC1(C)C.Cl.
What is the InChIKey of 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride?
The InChIKey is YYBVUJXTDKTZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.ClH/c1-12(2)18-13(19)8-17(10-14(18,3)4)11-15(5)6-7-16-9-15;/h12,16H,6-11H2,1-5H3;1H.
What are the key properties of 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride?
6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 120903615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).