N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide

C21H32N2O3 — CID 120553976

IUPACN-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C21H32N2O3/c1-3-4-5-14-26-18-8-6-17(7-9-18)20(24)10-11-21(25)23-19-12-13-22-15-16(19)2/h6-9,16,19,22H,3-5,10-15H2,1-2H3,(H,23,25)
InChIKeyCYUBHZNNDOJXJD-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.33
Rot. Bonds10

About N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide

N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide (PubChem CID 120553976) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
PubChem CID120553976
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C21H32N2O3/c1-3-4-5-14-26-18-8-6-17(7-9-18)20(24)10-11-21(25)23-19-12-13-22-15-16(19)2/h6-9,16,19,22H,3-5,10-15H2,1-2H3,(H,23,25)
InChIKeyCYUBHZNNDOJXJD-UHFFFAOYSA-N
XLogP3.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119553689
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553316

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide (CID 120553976) is N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide is CCCCCOc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The InChIKey is CYUBHZNNDOJXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-3-4-5-14-26-18-8-6-17(7-9-18)20(24)10-11-21(25)23-19-12-13-22-15-16(19)2/h6-9,16,19,22H,3-5,10-15H2,1-2H3,(H,23,25).
What are the key properties of N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide has a molecular weight of 360.50 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide is sourced from PubChem (CID 120553976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).