(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide

C19H30N2O2 — CID 99952065

IUPAC(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-3-17(23-18-11-6-5-10-16(18)2)19(22)20-12-9-15-21-13-7-4-8-14-21/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyFKGKSBHSZWBCBM-QGZVFWFLSA-N
MW318.46 g/mol
LogP3.14
Rot. Bonds8

About (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide

(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide (PubChem CID 99952065) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
PubChem CID99952065
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-3-17(23-18-11-6-5-10-16(18)2)19(22)20-12-9-15-21-13-7-4-8-14-21/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyFKGKSBHSZWBCBM-QGZVFWFLSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.14
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

(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486249
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 43885146
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015546
(2R)-N-[3-(azepan-1-yl)propyl]-2-(3-methylphenoxy)butanamide
CID 30399469
(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 28576885
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 30396485
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide (CID 99952065) is (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide is CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCCCC1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide?
The InChIKey is FKGKSBHSZWBCBM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-17(23-18-11-6-5-10-16(18)2)19(22)20-12-9-15-21-13-7-4-8-14-21/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide?
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide has a molecular weight of 318.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide is sourced from PubChem (CID 99952065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).