N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide

C19H30N2O2 — CID 119757253

IUPACN-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(OCCCNC(=O)CC(C)C2CCCNC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15-6-8-18(9-7-15)23-12-4-11-21-19(22)13-16(2)17-5-3-10-20-14-17/h6-9,16-17,20H,3-5,10-14H2,1-2H3,(H,21,22)
InChIKeyDAFJNGQJXQNMNG-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.91
Rot. Bonds8

About N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide

N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide (PubChem CID 119757253) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
PubChem CID119757253
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(OCCCNC(=O)CC(C)C2CCCNC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15-6-8-18(9-7-15)23-12-4-11-21-19(22)13-16(2)17-5-3-10-20-14-17/h6-9,16-17,20H,3-5,10-14H2,1-2H3,(H,21,22)
InChIKeyDAFJNGQJXQNMNG-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722670
N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
N-[2-(4-methylsulfonylphenoxy)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777473
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119704175
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119754365
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
CID 119751711
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119693933
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide (CID 119757253) is N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide is Cc1ccc(OCCCNC(=O)CC(C)C2CCCNC2)cc1.
What is the InChIKey of N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide?
The InChIKey is DAFJNGQJXQNMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-6-8-18(9-7-15)23-12-4-11-21-19(22)13-16(2)17-5-3-10-20-14-17/h6-9,16-17,20H,3-5,10-14H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide?
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119757253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).