N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide

C20H29N3O3 — CID 51299605

IUPACN-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide
SMILESCc1cccc(C)c1OCC(=O)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C20H29N3O3/c1-14-5-4-6-15(2)19(14)26-13-18(24)23-11-9-22(10-12-23)16(3)20(25)21-17-7-8-17/h4-6,16-17H,7-13H2,1-3H3,(H,21,25)
InChIKeyJKOHUTCGYDNEMJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.49
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide (PubChem CID 51299605) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide
PubChem CID51299605
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide
SMILESCc1cccc(C)c1OCC(=O)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C20H29N3O3/c1-14-5-4-6-15(2)19(14)26-13-18(24)23-11-9-22(10-12-23)16(3)20(25)21-17-7-8-17/h4-6,16-17H,7-13H2,1-3H3,(H,21,25)
InChIKeyJKOHUTCGYDNEMJ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide
CID 51299600
N-[(4S,5S)-1-[2-(2,6-dimethylphenoxy)acetyl]-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110164350
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108558496
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156670
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
CID 51329075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide (CID 51299605) is N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide is Cc1cccc(C)c1OCC(=O)N1CCN(C(C)C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide?
The InChIKey is JKOHUTCGYDNEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-5-4-6-15(2)19(14)26-13-18(24)23-11-9-22(10-12-23)16(3)20(25)21-17-7-8-17/h4-6,16-17H,7-13H2,1-3H3,(H,21,25).
What are the key properties of N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide has a molecular weight of 359.47 g/mol, XLogP of 1.49, 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-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51299605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).