4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide

C18H29N3O2 — CID 110358269

IUPAC4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(CCCc2cccc(OC)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-3-9-19-18(22)21-13-11-20(12-14-21)10-5-7-16-6-4-8-17(15-16)23-2/h4,6,8,15H,3,5,7,9-14H2,1-2H3,(H,19,22)
InChIKeyDSXDRBAOPNQNLW-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.37
Rot. Bonds7

About 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide

4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110358269) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
PubChem CID110358269
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(CCCc2cccc(OC)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-3-9-19-18(22)21-13-11-20(12-14-21)10-5-7-16-6-4-8-17(15-16)23-2/h4,6,8,15H,3,5,7,9-14H2,1-2H3,(H,19,22)
InChIKeyDSXDRBAOPNQNLW-UHFFFAOYSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide (CID 110358269) is 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(CCCc2cccc(OC)c2)CC1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is DSXDRBAOPNQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-9-19-18(22)21-13-11-20(12-14-21)10-5-7-16-6-4-8-17(15-16)23-2/h4,6,8,15H,3,5,7,9-14H2,1-2H3,(H,19,22).
What are the key properties of 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide?
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110358269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).