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

C17H24ClN3O2 — CID 120745684

IUPAC4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride
SMILESCl.NC[C@@H]1CN(C(=O)C2CCNC(=O)C2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O2.ClH/c18-9-14-10-20(11-15(14)12-4-2-1-3-5-12)17(22)13-6-7-19-16(21)8-13;/h1-5,13-15H,6-11,18H2,(H,19,21);1H/t13?,14-,15+;/m1./s1
InChIKeyMYYBNGUTYPFLSG-OFYGOMGKSA-N
MW337.85 g/mol
LogP1.14
Rot. Bonds3

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

4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride (PubChem CID 120745684) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride
PubChem CID120745684
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride
SMILESCl.NC[C@@H]1CN(C(=O)C2CCNC(=O)C2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O2.ClH/c18-9-14-10-20(11-15(14)12-4-2-1-3-5-12)17(22)13-6-7-19-16(21)8-13;/h1-5,13-15H,6-11,18H2,(H,19,21);1H/t13?,14-,15+;/m1./s1
InChIKeyMYYBNGUTYPFLSG-OFYGOMGKSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride
CID 120742550
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120742855
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(thian-4-yl)methanone
CID 120745667
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone;hydrochloride
CID 120741794
(4R)-4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120745296
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]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 120743423
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120745314
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 120743578
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
CID 120744823
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 120741957

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride?
The IUPAC name of 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride (CID 120745684) is 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride is Cl.NC[C@@H]1CN(C(=O)C2CCNC(=O)C2)C[C@H]1c1ccccc1.
What is the InChIKey of 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride?
The InChIKey is MYYBNGUTYPFLSG-OFYGOMGKSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c18-9-14-10-20(11-15(14)12-4-2-1-3-5-12)17(22)13-6-7-19-16(21)8-13;/h1-5,13-15H,6-11,18H2,(H,19,21);1H/t13?,14-,15+;/m1./s1.
What are the key properties of 4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride?
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 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]piperidin-2-one;hydrochloride is sourced from PubChem (CID 120745684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).