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

C19H27ClN2O3 — CID 108565449

IUPACN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H27ClN2O3/c1-2-6-18(23)21-15-10-12-22(13-11-15)19(24)9-5-14-25-17-8-4-3-7-16(17)20/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,21,23)
InChIKeyGPKZSSOLIFINEZ-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.41
Rot. Bonds8

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

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide (PubChem CID 108565449) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
PubChem CID108565449
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H27ClN2O3/c1-2-6-18(23)21-15-10-12-22(13-11-15)19(24)9-5-14-25-17-8-4-3-7-16(17)20/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,21,23)
InChIKeyGPKZSSOLIFINEZ-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565383
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555612
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide
CID 108561216
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 49488608
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565468
4-(2-chlorophenoxy)-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561213
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 119520913

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide?
The IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide (CID 108565449) is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide?
The InChIKey is GPKZSSOLIFINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-2-6-18(23)21-15-10-12-22(13-11-15)19(24)9-5-14-25-17-8-4-3-7-16(17)20/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,21,23).
What are the key properties of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide?
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide has a molecular weight of 366.89 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 108565449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).