N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide

C17H25ClN2O2 — CID 119808234

IUPACN-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
SMILESCCOc1cc(Cl)ccc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C17H25ClN2O2/c1-3-22-16-10-14(18)6-7-15(16)20-17(21)9-12(2)13-5-4-8-19-11-13/h6-7,10,12-13,19H,3-5,8-9,11H2,1-2H3,(H,20,21)
InChIKeyUKKWZPXBKMRENQ-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.70
Rot. Bonds6

About N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide

N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide (PubChem CID 119808234) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
PubChem CID119808234
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
SMILESCCOc1cc(Cl)ccc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C17H25ClN2O2/c1-3-22-16-10-14(18)6-7-15(16)20-17(21)9-12(2)13-5-4-8-19-11-13/h6-7,10,12-13,19H,3-5,8-9,11H2,1-2H3,(H,20,21)
InChIKeyUKKWZPXBKMRENQ-UHFFFAOYSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119744019
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878
4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride
CID 119712105
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide (CID 119808234) is N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide is CCOc1cc(Cl)ccc1NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide?
The InChIKey is UKKWZPXBKMRENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-3-22-16-10-14(18)6-7-15(16)20-17(21)9-12(2)13-5-4-8-19-11-13/h6-7,10,12-13,19H,3-5,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide?
N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide has a molecular weight of 324.85 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119808234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).