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

C20H29N3O3 — CID 47022937

IUPACN-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(OCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C20H29N3O3/c1-15-3-6-18(13-16(15)2)26-12-7-20(25)23-10-8-22(9-11-23)14-19(24)21-17-4-5-17/h3,6,13,17H,4-5,7-12,14H2,1-2H3,(H,21,24)
InChIKeyKFCDGDRADHSCCX-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.50
Rot. Bonds7

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

N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide (PubChem CID 47022937) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
PubChem CID47022937
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(OCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C20H29N3O3/c1-15-3-6-18(13-16(15)2)26-12-7-20(25)23-10-8-22(9-11-23)14-19(24)21-17-4-5-17/h3,6,13,17H,4-5,7-12,14H2,1-2H3,(H,21,24)
InChIKeyKFCDGDRADHSCCX-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-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47024315
N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide
CID 55389748
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
N-cyclopropyl-2-[4-(3-propan-2-yloxypropanoyl)piperazin-1-yl]acetamide
CID 86929481
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(3,4-dimethylphenoxy)butan-1-one;hydrochloride
CID 119625531
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 119664515
N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221111
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide (CID 47022937) is N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide is Cc1ccc(OCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C.
What is the InChIKey of N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is KFCDGDRADHSCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-3-6-18(13-16(15)2)26-12-7-20(25)23-10-8-22(9-11-23)14-19(24)21-17-4-5-17/h3,6,13,17H,4-5,7-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[3-(3,4-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-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 47022937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).