4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride

C21H32ClN3O2 — CID 120816701

IUPAC4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCc1cc(C)c(N2CC(C(=O)N3CCC(N)C(C)(C)C3)CC2=O)c(C)c1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-13-8-14(2)19(15(3)9-13)24-11-16(10-18(24)25)20(26)23-7-6-17(22)21(4,5)12-23;/h8-9,16-17H,6-7,10-12,22H2,1-5H3;1H
InChIKeyBFOFGWQYQZDVQS-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.97
Rot. Bonds2

About 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 120816701) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID120816701
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCc1cc(C)c(N2CC(C(=O)N3CCC(N)C(C)(C)C3)CC2=O)c(C)c1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-13-8-14(2)19(15(3)9-13)24-11-16(10-18(24)25)20(26)23-7-6-17(22)21(4,5)12-23;/h8-9,16-17H,6-7,10-12,22H2,1-5H3;1H
InChIKeyBFOFGWQYQZDVQS-UHFFFAOYSA-N
XLogP2.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 120816065
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 120816794
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 120814064
4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119488557
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 120816163
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 120816164
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 119622256
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119466766
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 113186748
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride (CID 120816701) is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride is Cc1cc(C)c(N2CC(C(=O)N3CCC(N)C(C)(C)C3)CC2=O)c(C)c1.Cl.
What is the InChIKey of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is BFOFGWQYQZDVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c1-13-8-14(2)19(15(3)9-13)24-11-16(10-18(24)25)20(26)23-7-6-17(22)21(4,5)12-23;/h8-9,16-17H,6-7,10-12,22H2,1-5H3;1H.
What are the key properties of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120816701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).