N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide

C16H25N3O2 — CID 10517704

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-16(20)17-8-9-18-10-12-19(13-11-18)14-6-4-5-7-15(14)21-2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyVMTWLAJDIWAHBS-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.34
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide (PubChem CID 10517704) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide
PubChem CID10517704
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-16(20)17-8-9-18-10-12-19(13-11-18)14-6-4-5-7-15(14)21-2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyVMTWLAJDIWAHBS-UHFFFAOYSA-N
XLogP1.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide (CID 10517704) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide is CCC(=O)NCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide?
The InChIKey is VMTWLAJDIWAHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-16(20)17-8-9-18-10-12-19(13-11-18)14-6-4-5-7-15(14)21-2/h4-7H,3,8-13H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 10517704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).