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

C21H31ClN2O3 — CID 108555612

IUPACN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C21H31ClN2O3/c1-3-16(4-2)21(26)23-17-11-13-24(14-12-17)20(25)10-7-15-27-19-9-6-5-8-18(19)22/h5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,23,26)
InChIKeyNRGGOJRKMCTNED-UHFFFAOYSA-N
MW394.94 g/mol
LogP4.04
Rot. Bonds9

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

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide (PubChem CID 108555612) has the molecular formula C21H31ClN2O3 and a molecular weight of 394.94 g/mol. Its IUPAC name is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
PubChem CID108555612
Molecular FormulaC21H31ClN2O3
Molecular Weight394.94 g/mol
Exact Mass394.20
IUPAC NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C21H31ClN2O3/c1-3-16(4-2)21(26)23-17-11-13-24(14-12-17)20(25)10-7-15-27-19-9-6-5-8-18(19)22/h5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,23,26)
InChIKeyNRGGOJRKMCTNED-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 54.04
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

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565468
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 119520913
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 49488608
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
4-(2-chlorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]butan-1-one
CID 110023487
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557401
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
2-ethyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555633

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide (CID 108555612) is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide?
The InChIKey is NRGGOJRKMCTNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O3/c1-3-16(4-2)21(26)23-17-11-13-24(14-12-17)20(25)10-7-15-27-19-9-6-5-8-18(19)22/h5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide?
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide has a molecular weight of 394.94 g/mol, XLogP of 4.04, 9 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]-2-ethylbutanamide is sourced from PubChem (CID 108555612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).