1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile

C16H21N3O — CID 22563410

IUPAC1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESCN(CCc1ccccc1)CC(=O)N1CCCC1C#N
InChIInChI=1S/C16H21N3O/c1-18(11-9-14-6-3-2-4-7-14)13-16(20)19-10-5-8-15(19)12-17/h2-4,6-7,15H,5,8-11,13H2,1H3
InChIKeyLKZJWKDUKJADCN-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.68
Rot. Bonds5

About 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile

1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 22563410) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID22563410
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESCN(CCc1ccccc1)CC(=O)N1CCCC1C#N
InChIInChI=1S/C16H21N3O/c1-18(11-9-14-6-3-2-4-7-14)13-16(20)19-10-5-8-15(19)12-17/h2-4,6-7,15H,5,8-11,13H2,1H3
InChIKeyLKZJWKDUKJADCN-UHFFFAOYSA-N
XLogP1.68
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile
CID 90655547
N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]-N-methyl-4-phenylbutanamide
CID 155534376
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979
1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 174718999
tert-butyl N-[(3S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxo-5-phenylpentan-3-yl]carbamate
CID 91330375
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592808
1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592809
1-benzyl-1-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 66776294
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
1-[2-[amino-[(4-nitrophenyl)methyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 10126986
1-[2-[amino(propan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 10149801

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile (CID 22563410) is 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile is CN(CCc1ccccc1)CC(=O)N1CCCC1C#N.
What is the InChIKey of 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is LKZJWKDUKJADCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(11-9-14-6-3-2-4-7-14)13-16(20)19-10-5-8-15(19)12-17/h2-4,6-7,15H,5,8-11,13H2,1H3.
What are the key properties of 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile?
1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 22563410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).