(5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one

C19H27N3O2 — CID 95174347

IUPAC(5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1
InChIInChI=1S/C19H27N3O2/c1-21(13-15-5-3-2-4-6-15)14-16-9-11-22(12-10-16)19(24)17-7-8-18(23)20-17/h2-6,16-17H,7-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyYRVMEHVHJDAYIF-KRWDZBQOSA-N
MW329.44 g/mol
LogP1.64
Rot. Bonds5

About (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95174347) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95174347
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1
InChIInChI=1S/C19H27N3O2/c1-21(13-15-5-3-2-4-6-15)14-16-9-11-22(12-10-16)19(24)17-7-8-18(23)20-17/h2-6,16-17H,7-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyYRVMEHVHJDAYIF-KRWDZBQOSA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-2-chloroethanone
CID 66567053
(2-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 119947007
(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875229
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]butan-1-one
CID 119875253
5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253
5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 63248464
(3-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875254
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875260
(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 29085018
[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
CID 83980394
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-isoquinolin-4-yl-2-oxoacetamide
CID 166186554

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 95174347) is (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one is CN(Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1.
What is the InChIKey of (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YRVMEHVHJDAYIF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21(13-15-5-3-2-4-6-15)14-16-9-11-22(12-10-16)19(24)17-7-8-18(23)20-17/h2-6,16-17H,7-14H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95174347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).