1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile

C12H20N4O — CID 142427579

IUPAC1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(C2CCN(C(=O)CN)CC2)C1
InChIInChI=1S/C12H20N4O/c13-7-10-1-4-16(9-10)11-2-5-15(6-3-11)12(17)8-14/h10-11H,1-6,8-9,14H2
InChIKeyRIJSFDYTYIZNHW-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.22
Rot. Bonds2

About 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile

1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile (PubChem CID 142427579) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile
PubChem CID142427579
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(C2CCN(C(=O)CN)CC2)C1
InChIInChI=1S/C12H20N4O/c13-7-10-1-4-16(9-10)11-2-5-15(6-3-11)12(17)8-14/h10-11H,1-6,8-9,14H2
InChIKeyRIJSFDYTYIZNHW-UHFFFAOYSA-N
XLogP-0.22
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-chloroacetyl)pyrrolidine-3-carbonitrile
CID 90446893
(3S)-1-cyclohexylpyrrolidine-3-carbonitrile
CID 134459247
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165
butyl 4-(4-cyanopiperidin-1-yl)piperidine-1-carboxylate
CID 69057256
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
4-[(3S)-3-cyanopiperidin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 71236309
1-butanoylpiperidine-4-carbonitrile
CID 39237347
(3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile
CID 89395754
1-hexanoylpiperidine-4-carbonitrile
CID 49062755
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile
CID 164650433

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile?
The IUPAC name of 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile (CID 142427579) is 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile is N#CC1CCN(C2CCN(C(=O)CN)CC2)C1.
What is the InChIKey of 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile?
The InChIKey is RIJSFDYTYIZNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-7-10-1-4-16(9-10)11-2-5-15(6-3-11)12(17)8-14/h10-11H,1-6,8-9,14H2.
What are the key properties of 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile?
1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile has a molecular weight of 236.32 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 142427579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).