4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride

C18H26ClN3O2 — CID 120742550

IUPAC4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride
SMILESCN1CCC(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)CC1=O.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-20-8-7-14(9-17(20)22)18(23)21-11-15(10-19)16(12-21)13-5-3-2-4-6-13;/h2-6,14-16H,7-12,19H2,1H3;1H/t14?,15-,16+;/m1./s1
InChIKeyFQFYJAREQGRGOI-ZMLUAIAISA-N
MW351.88 g/mol
LogP1.48
Rot. Bonds3

About 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride

4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride (PubChem CID 120742550) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride
PubChem CID120742550
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride
SMILESCN1CCC(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)CC1=O.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-20-8-7-14(9-17(20)22)18(23)21-11-15(10-19)16(12-21)13-5-3-2-4-6-13;/h2-6,14-16H,7-12,19H2,1H3;1H/t14?,15-,16+;/m1./s1
InChIKeyFQFYJAREQGRGOI-ZMLUAIAISA-N
XLogP1.48
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120742855
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120745684
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one;hydrochloride
CID 120746954
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 120745916
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 120744729
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(thian-4-yl)methanone
CID 120745667
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 120741957
(4R)-4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120745296
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride
CID 120741794
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 120743578
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-ethylpyrrolidin-2-one;hydrochloride
CID 120746956
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone;ethane
CID 90748357

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride?
The IUPAC name of 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride (CID 120742550) is 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride.
What is the SMILES notation for 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride?
The canonical SMILES for 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride is CN1CCC(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)CC1=O.Cl.
What is the InChIKey of 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride?
The InChIKey is FQFYJAREQGRGOI-ZMLUAIAISA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-20-8-7-14(9-17(20)22)18(23)21-11-15(10-19)16(12-21)13-5-3-2-4-6-13;/h2-6,14-16H,7-12,19H2,1H3;1H/t14?,15-,16+;/m1./s1.
What are the key properties of 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride?
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride is sourced from PubChem (CID 120742550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).