N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide

C20H29N3O3 — CID 47024315

IUPACN-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
SMILESCc1cccc(OCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1C
InChIInChI=1S/C20H29N3O3/c1-15-4-3-5-18(16(15)2)26-13-8-20(25)23-11-9-22(10-12-23)14-19(24)21-17-6-7-17/h3-5,17H,6-14H2,1-2H3,(H,21,24)
InChIKeyRQXRUNSMNZGCDM-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.50
Rot. Bonds7

About N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide (PubChem CID 47024315) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
PubChem CID47024315
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
SMILESCc1cccc(OCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1C
InChIInChI=1S/C20H29N3O3/c1-15-4-3-5-18(16(15)2)26-13-8-20(25)23-11-9-22(10-12-23)14-19(24)21-17-6-7-17/h3-5,17H,6-14H2,1-2H3,(H,21,24)
InChIKeyRQXRUNSMNZGCDM-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703
2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 31998704
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236
N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47022937
3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 43417399
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
N-cyclopropyl-2-[4-[3-(2-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 51095932
N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 108560809
4-[3-(2,3-dimethylphenoxy)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 86983544
N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119478904
3-(2,3-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 55595949
N-cyclopropyl-2-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55408712

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide (CID 47024315) is N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide is Cc1cccc(OCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1C.
What is the InChIKey of N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is RQXRUNSMNZGCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-4-3-5-18(16(15)2)26-13-8-20(25)23-11-9-22(10-12-23)14-19(24)21-17-6-7-17/h3-5,17H,6-14H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 47024315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).