4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide

C13H26N4O3 — CID 106112145

IUPAC4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(CN)OC)CC1
InChIInChI=1S/C13H26N4O3/c1-4-15(5-2)13(19)17-8-6-16(7-9-17)12(18)11(10-14)20-3/h11H,4-10,14H2,1-3H3
InChIKeyGNZJKTNGVLGVAW-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.43
Rot. Bonds5

About 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide

4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 106112145) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID106112145
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(CN)OC)CC1
InChIInChI=1S/C13H26N4O3/c1-4-15(5-2)13(19)17-8-6-16(7-9-17)12(18)11(10-14)20-3/h11H,4-10,14H2,1-3H3
InChIKeyGNZJKTNGVLGVAW-UHFFFAOYSA-N
XLogP-0.43
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 55104467
3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 106111361
3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one
CID 114145012
4-(2-bromobutanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 62855786
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 106111291
4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119956526
4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 61162840
3-amino-2-methoxy-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
CID 106112176
3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
CID 106112209
3-amino-1-(3-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111292
3-amino-N-ethyl-2-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 106111177

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide (CID 106112145) is 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)C(CN)OC)CC1.
What is the InChIKey of 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is GNZJKTNGVLGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-4-15(5-2)13(19)17-8-6-16(7-9-17)12(18)11(10-14)20-3/h11H,4-10,14H2,1-3H3.
What are the key properties of 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide?
4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 106112145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).