4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride

C20H30ClN3O2 — CID 119466766

IUPAC4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCc1cc(C)c(N2CC(C(=O)N3CCCCC3CN)CC2=O)c(C)c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-13-8-14(2)19(15(3)9-13)23-12-16(10-18(23)24)20(25)22-7-5-4-6-17(22)11-21;/h8-9,16-17H,4-7,10-12,21H2,1-3H3;1H
InChIKeyMKJCTYFOOYJLMK-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.73
Rot. Bonds3

About 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride

4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119466766) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID119466766
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCc1cc(C)c(N2CC(C(=O)N3CCCCC3CN)CC2=O)c(C)c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-13-8-14(2)19(15(3)9-13)23-12-16(10-18(23)24)20(25)22-7-5-4-6-17(22)11-21;/h8-9,16-17H,4-7,10-12,21H2,1-3H3;1H
InChIKeyMKJCTYFOOYJLMK-UHFFFAOYSA-N
XLogP2.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 120816701
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 119633918
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113191158
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119585986
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 119622256
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 113186748
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119633147
[2-(aminomethyl)piperidin-1-yl]-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119467160
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
1-(2-carboxy-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691050
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride (CID 119466766) is 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride is Cc1cc(C)c(N2CC(C(=O)N3CCCCC3CN)CC2=O)c(C)c1.Cl.
What is the InChIKey of 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is MKJCTYFOOYJLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-13-8-14(2)19(15(3)9-13)23-12-16(10-18(23)24)20(25)22-7-5-4-6-17(22)11-21;/h8-9,16-17H,4-7,10-12,21H2,1-3H3;1H.
What are the key properties of 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119466766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).