N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide

C10H16N4O2 — CID 62092690

IUPACN-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
SMILESN#CCCNC(=O)CNC1CCCNC1=O
InChIInChI=1S/C10H16N4O2/c11-4-2-6-12-9(15)7-14-8-3-1-5-13-10(8)16/h8,14H,1-3,5-7H2,(H,12,15)(H,13,16)
InChIKeyRCVIGBATUPAMDU-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.12
Rot. Bonds5

About N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide

N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide (PubChem CID 62092690) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
PubChem CID62092690
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
SMILESN#CCCNC(=O)CNC1CCCNC1=O
InChIInChI=1S/C10H16N4O2/c11-4-2-6-12-9(15)7-14-8-3-1-5-13-10(8)16/h8,14H,1-3,5-7H2,(H,12,15)(H,13,16)
InChIKeyRCVIGBATUPAMDU-UHFFFAOYSA-N
XLogP-1.12
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 55033154
N-cyclopropyl-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62093607
methyl 2-[(2-oxopiperidin-3-yl)amino]acetate
CID 22906858
3-(2-methylprop-2-enylamino)piperidin-2-one
CID 62331735
3-(2-chloroprop-2-enylamino)piperidin-2-one
CID 62093427
N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide
CID 77030299
N-(2-cyanoethyl)-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetamide
CID 54967539
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2-cyanoethyl)acetamide
CID 43180244
N-(3-chlorophenyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62092325
N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64743964
3-(pentylamino)piperidin-2-one
CID 62093756
3-(3,3,3-trifluoropropylamino)piperidin-2-one
CID 64554624

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide (CID 62092690) is N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide is N#CCCNC(=O)CNC1CCCNC1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide?
The InChIKey is RCVIGBATUPAMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-4-2-6-12-9(15)7-14-8-3-1-5-13-10(8)16/h8,14H,1-3,5-7H2,(H,12,15)(H,13,16).
What are the key properties of N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide?
N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide has a molecular weight of 224.26 g/mol, XLogP of -1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide is sourced from PubChem (CID 62092690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).