2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide

C21H33N3O3 — CID 47081322

IUPAC2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCN(C(=O)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H33N3O3/c1-4-18(5-2)22-20(25)16-23-12-14-24(15-13-23)21(26)11-8-17-6-9-19(27-3)10-7-17/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,22,25)
InChIKeyRCSMJBOPBMSKBV-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.08
Rot. Bonds9

About 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide

2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide (PubChem CID 47081322) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide
PubChem CID47081322
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCN(C(=O)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H33N3O3/c1-4-18(5-2)22-20(25)16-23-12-14-24(15-13-23)21(26)11-8-17-6-9-19(27-3)10-7-17/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,22,25)
InChIKeyRCSMJBOPBMSKBV-UHFFFAOYSA-N
XLogP2.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709767
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110356972
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
N-butan-2-yl-2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043909
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611236
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 71783123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide (CID 47081322) is 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1CCN(C(=O)CCc2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is RCSMJBOPBMSKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-18(5-2)22-20(25)16-23-12-14-24(15-13-23)21(26)11-8-17-6-9-19(27-3)10-7-17/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide?
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 375.51 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 47081322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).