N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

C14H22N4O2 — CID 61242794

IUPACN-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESN#CCNC(=O)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H22N4O2/c15-6-7-16-13(19)14(20)18-10-4-12(5-11-18)17-8-2-1-3-9-17/h12H,1-5,7-11H2,(H,16,19)
InChIKeyONMRSJBOWBNEEQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.10
Rot. Bonds2

About N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 61242794) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
PubChem CID61242794
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESN#CCNC(=O)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H22N4O2/c15-6-7-16-13(19)14(20)18-10-4-12(5-11-18)17-8-2-1-3-9-17/h12H,1-5,7-11H2,(H,16,19)
InChIKeyONMRSJBOWBNEEQ-UHFFFAOYSA-N
XLogP0.10
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 61242979
N-(cyanomethyl)-2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 62943423
1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide
CID 103195511
ethyl 1-[2-(cyanomethylamino)-2-oxoacetyl]piperidine-3-carboxylate
CID 43316014
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
N-(cyanomethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoacetamide
CID 79937724
N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
CID 87110465
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
2-(azepan-1-yl)-N-ethyl-2-oxoacetamide
CID 108521159
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate
CID 112617221

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (CID 61242794) is N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is N#CCNC(=O)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is ONMRSJBOWBNEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-6-7-16-13(19)14(20)18-10-4-12(5-11-18)17-8-2-1-3-9-17/h12H,1-5,7-11H2,(H,16,19).
What are the key properties of N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 61242794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).