N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide

C12H26N4O — CID 515599

IUPACN-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCCN(CC)CCNC(=O)N1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-4-15(5-2)7-6-13-12(17)16-10-8-14(3)9-11-16/h4-11H2,1-3H3,(H,13,17)
InChIKeyODBDYKOFVWFXOM-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.29
Rot. Bonds5

About N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide

N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide (PubChem CID 515599) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide
PubChem CID515599
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCCN(CC)CCNC(=O)N1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-4-15(5-2)7-6-13-12(17)16-10-8-14(3)9-11-16/h4-11H2,1-3H3,(H,13,17)
InChIKeyODBDYKOFVWFXOM-UHFFFAOYSA-N
XLogP0.29
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diethylcarbamazine
CID 3052
N,N-dimethylpiperazine-1-carboxamide hydrochloride
CID 16192652
n,n-Dimethylpiperazine-1-carboxamide
CID 712909
n,n'-Diethylpiperazine-1,4-dicarboxamide
CID 235434
1-Piperazinecarboxamide
CID 258192
N-(1,1-Dimethylethyl)-1-piperazinecarboxamide
CID 11321368
N-methylpiperazine-1-carboxamide
CID 11672770
1-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 349503
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
1-Diethylcarbamyl-4-ethylpiperazine
CID 127066
N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide
CID 754393
N,N-Diethylpiperazine-1-carboxamide
CID 67067

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide (CID 515599) is N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide is CCN(CC)CCNC(=O)N1CCN(C)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is ODBDYKOFVWFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-4-15(5-2)7-6-13-12(17)16-10-8-14(3)9-11-16/h4-11H2,1-3H3,(H,13,17).
What are the key properties of N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide?
N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 242.37 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 515599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).