2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide

C10H15N3O2 — CID 64669418

IUPAC2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCC(C#N)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C10H15N3O2/c1-7(5-11)10(15)12-8-3-4-9(14)13(2)6-8/h7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyWRAGRWSCMUHLJX-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.12
Rot. Bonds2

About 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide

2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide (PubChem CID 64669418) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
PubChem CID64669418
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCC(C#N)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C10H15N3O2/c1-7(5-11)10(15)12-8-3-4-9(14)13(2)6-8/h7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyWRAGRWSCMUHLJX-UHFFFAOYSA-N
XLogP-0.12
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
CID 64669823
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
3-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64667203
1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 80592251
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
CID 104685189
methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
CID 112617343
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 104966339
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464
2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64836587
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide (CID 64669418) is 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide is CC(C#N)C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The InChIKey is WRAGRWSCMUHLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(5-11)10(15)12-8-3-4-9(14)13(2)6-8/h7-8H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide has a molecular weight of 209.25 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 64669418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).