N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide

C20H28N4O3 — CID 51299599

IUPACN-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O3/c1-15(19(26)22-17-7-8-17)23-11-13-24(14-12-23)18(25)9-10-21-20(27)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,21,27)(H,22,26)
InChIKeyDSWIILCJISYTQK-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.62
Rot. Bonds7

About N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide

N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 51299599) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
PubChem CID51299599
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O3/c1-15(19(26)22-17-7-8-17)23-11-13-24(14-12-23)18(25)9-10-21-20(27)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,21,27)(H,22,26)
InChIKeyDSWIILCJISYTQK-UHFFFAOYSA-N
XLogP0.62
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 112806843
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
CID 51329075
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-cyclopropyl-2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]propanamide
CID 86979582
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654
N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
CID 51299602
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide (CID 51299599) is N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide is CC(C(=O)NC1CC1)N1CCN(C(=O)CCNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is DSWIILCJISYTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15(19(26)22-17-7-8-17)23-11-13-24(14-12-23)18(25)9-10-21-20(27)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,21,27)(H,22,26).
What are the key properties of N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide?
N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 51299599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).