N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide

C20H32N2O2 — CID 119693492

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(C(NC(=O)CC(C)C2CCNCC2)C(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-14(2)20(17-5-7-18(24-4)8-6-17)22-19(23)13-15(3)16-9-11-21-12-10-16/h5-8,14-16,20-21H,9-13H2,1-4H3,(H,22,23)
InChIKeySIRQVADMNUBHRJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.53
Rot. Bonds7

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide

N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide (PubChem CID 119693492) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
PubChem CID119693492
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(C(NC(=O)CC(C)C2CCNCC2)C(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-14(2)20(17-5-7-18(24-4)8-6-17)22-19(23)13-15(3)16-9-11-21-12-10-16/h5-8,14-16,20-21H,9-13H2,1-4H3,(H,22,23)
InChIKeySIRQVADMNUBHRJ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119693479
methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119818562
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119758283
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119693493
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693481
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119893842
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119720937
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119736423

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide (CID 119693492) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide is COc1ccc(C(NC(=O)CC(C)C2CCNCC2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The InChIKey is SIRQVADMNUBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14(2)20(17-5-7-18(24-4)8-6-17)22-19(23)13-15(3)16-9-11-21-12-10-16/h5-8,14-16,20-21H,9-13H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide has a molecular weight of 332.49 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119693492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).