N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide

C20H29N3O3 — CID 51329084

IUPACN-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide
SMILESCc1ccc(OC(C)C(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-14-4-8-18(9-5-14)26-16(3)20(25)23-12-10-22(11-13-23)15(2)19(24)21-17-6-7-17/h4-5,8-9,15-17H,6-7,10-13H2,1-3H3,(H,21,24)
InChIKeyKZOKUXORYSDICN-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.57
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide (PubChem CID 51329084) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide
PubChem CID51329084
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide
SMILESCc1ccc(OC(C)C(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-14-4-8-18(9-5-14)26-16(3)20(25)23-12-10-22(11-13-23)15(2)19(24)21-17-6-7-17/h4-5,8-9,15-17H,6-7,10-13H2,1-3H3,(H,21,24)
InChIKeyKZOKUXORYSDICN-UHFFFAOYSA-N
XLogP1.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 62916587
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553423
1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 18112386
2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78803715
(2S)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 94596120
N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide
CID 51299600
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 115966356
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 120502700
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide (CID 51329084) is N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide is Cc1ccc(OC(C)C(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide?
The InChIKey is KZOKUXORYSDICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-4-8-18(9-5-14)26-16(3)20(25)23-12-10-22(11-13-23)15(2)19(24)21-17-6-7-17/h4-5,8-9,15-17H,6-7,10-13H2,1-3H3,(H,21,24).
What are the key properties of N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide has a molecular weight of 359.47 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51329084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).