4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide

C13H24N4O — CID 79161762

IUPAC4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C13H24N4O/c1-5-15(6-2)12(18)16-7-9-17(10-8-16)13(3,4)11-14/h5-10H2,1-4H3
InChIKeyDYWKKOGYVFYTHA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.37
Rot. Bonds3

About 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide

4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 79161762) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID79161762
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C13H24N4O/c1-5-15(6-2)12(18)16-7-9-17(10-8-16)13(3,4)11-14/h5-10H2,1-4H3
InChIKeyDYWKKOGYVFYTHA-UHFFFAOYSA-N
XLogP1.37
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide (CID 79161762) is 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(C)(C)C#N)CC1.
What is the InChIKey of 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is DYWKKOGYVFYTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-15(6-2)12(18)16-7-9-17(10-8-16)13(3,4)11-14/h5-10H2,1-4H3.
What are the key properties of 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide?
4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 79161762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).