N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride

C15H22ClN3O2 — CID 119538355

IUPACN-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(NC(C)=O)cc2)C1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(19)17-14-5-3-13(4-6-14)15(20)18-8-7-12(10-18)9-16-2;/h3-6,12,16H,7-10H2,1-2H3,(H,17,19);1H
InChIKeyLGHKTFWDTDQGCJ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.75
Rot. Bonds4

About N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride

N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride (PubChem CID 119538355) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
PubChem CID119538355
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(NC(C)=O)cc2)C1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(19)17-14-5-3-13(4-6-14)15(20)18-8-7-12(10-18)9-16-2;/h3-6,12,16H,7-10H2,1-2H3,(H,17,19);1H
InChIKeyLGHKTFWDTDQGCJ-UHFFFAOYSA-N
XLogP1.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119541577
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 125146017
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone;hydrochloride
CID 119538348
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119539774
2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119397639
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 63263866
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride (CID 119538355) is N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride is CNCC1CCN(C(=O)c2ccc(NC(C)=O)cc2)C1.Cl.
What is the InChIKey of N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The InChIKey is LGHKTFWDTDQGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11(19)17-14-5-3-13(4-6-14)15(20)18-8-7-12(10-18)9-16-2;/h3-6,12,16H,7-10H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride?
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119538355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).