N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide

C20H32N2O2 — CID 119758283

IUPACN-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(C(C)(C)CNC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C20H32N2O2/c1-15(16-9-11-21-12-10-16)13-19(23)22-14-20(2,3)17-5-7-18(24-4)8-6-17/h5-8,15-16,21H,9-14H2,1-4H3,(H,22,23)
InChIKeyMDQMFRLQCOKLRB-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.11
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide

N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide (PubChem CID 119758283) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
PubChem CID119758283
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(C(C)(C)CNC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C20H32N2O2/c1-15(16-9-11-21-12-10-16)13-19(23)22-14-20(2,3)17-5-7-18(24-4)8-6-17/h5-8,15-16,21H,9-14H2,1-4H3,(H,22,23)
InChIKeyMDQMFRLQCOKLRB-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide
CID 119757009
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 119726417
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119893842
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide (CID 119758283) is N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide is COc1ccc(C(C)(C)CNC(=O)CC(C)C2CCNCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The InChIKey is MDQMFRLQCOKLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15(16-9-11-21-12-10-16)13-19(23)22-14-20(2,3)17-5-7-18(24-4)8-6-17/h5-8,15-16,21H,9-14H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide has a molecular weight of 332.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119758283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).