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

C19H27ClN2O3 — CID 108555618

IUPACN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O3/c1-3-14(4-2)19(24)21-16-9-11-22(12-10-16)18(23)13-25-17-7-5-15(20)6-8-17/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyMGSCKJRJQIRTQX-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.26
Rot. Bonds7

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

N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide (PubChem CID 108555618) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
PubChem CID108555618
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC NameN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O3/c1-3-14(4-2)19(24)21-16-9-11-22(12-10-16)18(23)13-25-17-7-5-15(20)6-8-17/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyMGSCKJRJQIRTQX-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555615
3-(4-chlorophenyl)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108556618
2-ethyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555633
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549019
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide (CID 108555618) is N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide?
The InChIKey is MGSCKJRJQIRTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-3-14(4-2)19(24)21-16-9-11-22(12-10-16)18(23)13-25-17-7-5-15(20)6-8-17/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide?
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide has a molecular weight of 366.89 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 108555618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).