4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide

C20H27ClN2O4 — CID 108553687

IUPAC4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H27ClN2O4/c21-16-5-1-2-6-17(16)26-14-4-8-19(24)22-15-9-11-23(12-10-15)20(25)18-7-3-13-27-18/h1-2,5-6,15,18H,3-4,7-14H2,(H,22,24)
InChIKeyCICXLASKMRVDLB-UHFFFAOYSA-N
MW394.90 g/mol
LogP2.79
Rot. Bonds7

About 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide

4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide (PubChem CID 108553687) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide
PubChem CID108553687
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC Name4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H27ClN2O4/c21-16-5-1-2-6-17(16)26-14-4-8-19(24)22-15-9-11-23(12-10-15)20(25)18-7-3-13-27-18/h1-2,5-6,15,18H,3-4,7-14H2,(H,22,24)
InChIKeyCICXLASKMRVDLB-UHFFFAOYSA-N
XLogP2.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
benzyl 4-[4-(2-chlorophenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561231
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553708
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide
CID 108561216
4-(2-chlorophenoxy)-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561213
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250
3-(4-chlorophenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 108556607
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide (CID 108553687) is 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide is O=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide?
The InChIKey is CICXLASKMRVDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c21-16-5-1-2-6-17(16)26-14-4-8-19(24)22-15-9-11-23(12-10-15)20(25)18-7-3-13-27-18/h1-2,5-6,15,18H,3-4,7-14H2,(H,22,24).
What are the key properties of 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide?
4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide has a molecular weight of 394.90 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108553687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).