N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide

C21H32N2O3 — CID 49493081

IUPACN-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-16(2)15-21(25)23-12-10-18(11-13-23)22-20(24)5-4-14-26-19-8-6-17(3)7-9-19/h6-9,16,18H,4-5,10-15H2,1-3H3,(H,22,24)
InChIKeyPPUMIAAOAPVGDM-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.31
Rot. Bonds8

About N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide

N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide (PubChem CID 49493081) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
PubChem CID49493081
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-16(2)15-21(25)23-12-10-18(11-13-23)22-20(24)5-4-14-26-19-8-6-17(3)7-9-19/h6-9,16,18H,4-5,10-15H2,1-3H3,(H,22,24)
InChIKeyPPUMIAAOAPVGDM-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108549552
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561105
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
tert-butyl N-[2-[4-[4-(4-methylphenoxy)butanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108553401
2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108565343
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553423
3-methyl-1-[4-[4-(4-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 108544354
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553427
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide (CID 49493081) is N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1.
What is the InChIKey of N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The InChIKey is PPUMIAAOAPVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-16(2)15-21(25)23-12-10-18(11-13-23)22-20(24)5-4-14-26-19-8-6-17(3)7-9-19/h6-9,16,18H,4-5,10-15H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide has a molecular weight of 360.50 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 49493081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).