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

C17H27N3O2 — CID 110358322

IUPAC4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCOc1ccc(CCCN2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-18(2)17(21)20-13-11-19(12-14-20)10-4-5-15-6-8-16(22-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3
InChIKeyNHISDANKSNRWAE-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.93
Rot. Bonds5

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

4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 110358322) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID110358322
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCOc1ccc(CCCN2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-18(2)17(21)20-13-11-19(12-14-20)10-4-5-15-6-8-16(22-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3
InChIKeyNHISDANKSNRWAE-UHFFFAOYSA-N
XLogP1.93
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110356585
1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 86855169
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
4-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 110359176
4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413921
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113073801
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide (CID 110358322) is 4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide is COc1ccc(CCCN2CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is NHISDANKSNRWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-18(2)17(21)20-13-11-19(12-14-20)10-4-5-15-6-8-16(22-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of 4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 110358322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).