N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide

C20H32N2O2 — CID 119819887

IUPACN-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
SMILESCCC(CNC(=O)CC(C)C1CCCNC1)Oc1cccc(C)c1
InChIInChI=1S/C20H32N2O2/c1-4-18(24-19-9-5-7-15(2)11-19)14-22-20(23)12-16(3)17-8-6-10-21-13-17/h5,7,9,11,16-18,21H,4,6,8,10,12-14H2,1-3H3,(H,22,23)
InChIKeyWTCSGEBZDRVGCQ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.29
Rot. Bonds8

About N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide

N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide (PubChem CID 119819887) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
PubChem CID119819887
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
SMILESCCC(CNC(=O)CC(C)C1CCCNC1)Oc1cccc(C)c1
InChIInChI=1S/C20H32N2O2/c1-4-18(24-19-9-5-7-15(2)11-19)14-22-20(23)12-16(3)17-8-6-10-21-13-17/h5,7,9,11,16-18,21H,4,6,8,10,12-14H2,1-3H3,(H,22,23)
InChIKeyWTCSGEBZDRVGCQ-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909
N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
CID 119344253
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
CID 119819907
3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116594401
N-(2-ethoxypropyl)-3-piperidin-3-ylbutanamide
CID 115739458
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
CID 119751711

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide (CID 119819887) is N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide is CCC(CNC(=O)CC(C)C1CCCNC1)Oc1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide?
The InChIKey is WTCSGEBZDRVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-18(24-19-9-5-7-15(2)11-19)14-22-20(23)12-16(3)17-8-6-10-21-13-17/h5,7,9,11,16-18,21H,4,6,8,10,12-14H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide?
N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide has a molecular weight of 332.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119819887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).