1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride

C19H28ClN3O2 — CID 154896608

IUPAC1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H](C(=O)N1CCC(CCN2CCCC2=O)CC1)c1ccccc1
InChIInChI=1S/C19H27N3O2.ClH/c20-18(16-5-2-1-3-6-16)19(24)22-13-9-15(10-14-22)8-12-21-11-4-7-17(21)23;/h1-3,5-6,15,18H,4,7-14,20H2;1H/t18-;/m1./s1
InChIKeyXWAIPLLGGWBXGK-GMUIIQOCSA-N
MW365.91 g/mol
LogP2.36
Rot. Bonds5

About 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride

1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride (PubChem CID 154896608) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride
PubChem CID154896608
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H](C(=O)N1CCC(CCN2CCCC2=O)CC1)c1ccccc1
InChIInChI=1S/C19H27N3O2.ClH/c20-18(16-5-2-1-3-6-16)19(24)22-13-9-15(10-14-22)8-12-21-11-4-7-17(21)23;/h1-3,5-6,15,18H,4,7-14,20H2;1H/t18-;/m1./s1
InChIKeyXWAIPLLGGWBXGK-GMUIIQOCSA-N
XLogP2.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70784494
1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70752183
1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72901999
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119892520
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 99775938
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride (CID 154896608) is 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride is Cl.N[C@@H](C(=O)N1CCC(CCN2CCCC2=O)CC1)c1ccccc1.
What is the InChIKey of 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is XWAIPLLGGWBXGK-GMUIIQOCSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c20-18(16-5-2-1-3-6-16)19(24)22-13-9-15(10-14-22)8-12-21-11-4-7-17(21)23;/h1-3,5-6,15,18H,4,7-14,20H2;1H/t18-;/m1./s1.
What are the key properties of 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride?
1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 154896608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).