4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide

C16H30N4O2 — CID 75523124

IUPAC4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(C(C)C(=O)NC2CC2)CC1)C(C)C
InChIInChI=1S/C16H30N4O2/c1-5-20(12(2)3)16(22)19-10-8-18(9-11-19)13(4)15(21)17-14-6-7-14/h12-14H,5-11H2,1-4H3,(H,17,21)
InChIKeyDBOHMMZXNYBOED-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.12
Rot. Bonds5

About 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide

4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 75523124) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID75523124
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(C(C)C(=O)NC2CC2)CC1)C(C)C
InChIInChI=1S/C16H30N4O2/c1-5-20(12(2)3)16(22)19-10-8-18(9-11-19)13(4)15(21)17-14-6-7-14/h12-14H,5-11H2,1-4H3,(H,17,21)
InChIKeyDBOHMMZXNYBOED-UHFFFAOYSA-N
XLogP1.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
CID 75507547
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 120502700
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
CID 51299602
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 119877479

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide (CID 75523124) is 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide is CCN(C(=O)N1CCN(C(C)C(=O)NC2CC2)CC1)C(C)C.
What is the InChIKey of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is DBOHMMZXNYBOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-5-20(12(2)3)16(22)19-10-8-18(9-11-19)13(4)15(21)17-14-6-7-14/h12-14H,5-11H2,1-4H3,(H,17,21).
What are the key properties of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide?
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 75523124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).