2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide

C20H31N3O3 — CID 87732200

IUPAC2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCOc2ccc(C=O)cc2)CC1
InChIInChI=1S/C20H31N3O3/c1-21(2)20(25)16-23-13-11-22(12-14-23)10-4-3-5-15-26-19-8-6-18(17-24)7-9-19/h6-9,17H,3-5,10-16H2,1-2H3
InChIKeyRRIDDQYELNOBPC-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.75
Rot. Bonds10

About 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 87732200) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID87732200
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCOc2ccc(C=O)cc2)CC1
InChIInChI=1S/C20H31N3O3/c1-21(2)20(25)16-23-13-11-22(12-14-23)10-4-3-5-15-26-19-8-6-18(17-24)7-9-19/h6-9,17H,3-5,10-16H2,1-2H3
InChIKeyRRIDDQYELNOBPC-UHFFFAOYSA-N
XLogP1.75
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24995255
2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24996849
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25007091
2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25006326
2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25066896
2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 69190292
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-icosoxybenzaldehyde
CID 23127488

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 87732200) is 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(CCCCCOc2ccc(C=O)cc2)CC1.
What is the InChIKey of 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is RRIDDQYELNOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-21(2)20(25)16-23-13-11-22(12-14-23)10-4-3-5-15-26-19-8-6-18(17-24)7-9-19/h6-9,17H,3-5,10-16H2,1-2H3.
What are the key properties of 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 361.49 g/mol, XLogP of 1.75, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 87732200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).