4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide

C12H26N4O — CID 79153561

IUPAC4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C12H26N4O/c1-3-15(4-2)12(17)16-10-8-14(9-11-16)7-5-6-13/h3-11,13H2,1-2H3
InChIKeyMYOTYJLPJPPENB-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.41
Rot. Bonds5

About 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide

4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 79153561) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID79153561
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C12H26N4O/c1-3-15(4-2)12(17)16-10-8-14(9-11-16)7-5-6-13/h3-11,13H2,1-2H3
InChIKeyMYOTYJLPJPPENB-UHFFFAOYSA-N
XLogP0.41
TPSA52.81 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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-aminopropyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 28705883
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
CID 79161963
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylpropan-1-one
CID 43251783
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43251822
4-ethyl-N,N-dipropylpiperazine-1-carboxamide
CID 108988508
4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 55104467
N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
CID 3033979
[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 79155437
1-[4-(4-aminobutyl)piperazin-1-yl]-3-methylbutan-1-one
CID 43251848
N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110358210
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide (CID 79153561) is 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(CCCN)CC1.
What is the InChIKey of 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is MYOTYJLPJPPENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-15(4-2)12(17)16-10-8-14(9-11-16)7-5-6-13/h3-11,13H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide?
4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 242.37 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 79153561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).