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

C21H24ClN3O3 — CID 49387753

IUPAC4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H24ClN3O3/c22-18-4-1-2-5-19(18)28-15-3-6-20(26)24-17-9-13-25(14-10-17)21(27)16-7-11-23-12-8-16/h1-2,4-5,7-8,11-12,17H,3,6,9-10,13-15H2,(H,24,26)
InChIKeyRCRZBFRNEGWUSQ-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.32
Rot. Bonds7

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

4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide (PubChem CID 49387753) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
PubChem CID49387753
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H24ClN3O3/c22-18-4-1-2-5-19(18)28-15-3-6-20(26)24-17-9-13-25(14-10-17)21(27)16-7-11-23-12-8-16/h1-2,4-5,7-8,11-12,17H,3,6,9-10,13-15H2,(H,24,26)
InChIKeyRCRZBFRNEGWUSQ-UHFFFAOYSA-N
XLogP3.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.32
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-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553708
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
benzyl 4-[4-(2-chlorophenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561231
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide
CID 108553687
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
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-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide (CID 49387753) is 4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide is O=C(CCCOc1ccccc1Cl)NC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The InChIKey is RCRZBFRNEGWUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-18-4-1-2-5-19(18)28-15-3-6-20(26)24-17-9-13-25(14-10-17)21(27)16-7-11-23-12-8-16/h1-2,4-5,7-8,11-12,17H,3,6,9-10,13-15H2,(H,24,26).
What are the key properties of 4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide has a molecular weight of 401.89 g/mol, XLogP of 3.32, 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-(pyridine-4-carbonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 49387753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).