3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide

C18H28N2O2 — CID 119714859

IUPAC3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H28N2O2/c1-13(2)22-17-9-5-4-8-16(17)20-18(21)11-14(3)15-7-6-10-19-12-15/h4-5,8-9,13-15,19H,6-7,10-12H2,1-3H3,(H,20,21)
InChIKeyMKDWSYQDAKMDEE-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.44
Rot. Bonds6

About 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide

3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide (PubChem CID 119714859) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
PubChem CID119714859
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H28N2O2/c1-13(2)22-17-9-5-4-8-16(17)20-18(21)11-14(3)15-7-6-10-19-12-15/h4-5,8-9,13-15,19H,6-7,10-12H2,1-3H3,(H,20,21)
InChIKeyMKDWSYQDAKMDEE-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
CID 119733611
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119691926

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide (CID 119714859) is 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide is CC(C)Oc1ccccc1NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide?
The InChIKey is MKDWSYQDAKMDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)22-17-9-5-4-8-16(17)20-18(21)11-14(3)15-7-6-10-19-12-15/h4-5,8-9,13-15,19H,6-7,10-12H2,1-3H3,(H,20,21).
What are the key properties of 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide?
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide has a molecular weight of 304.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 119714859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).