(2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide

C19H36N2O2 — CID 125419552

IUPAC(2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOCCCCN1CCC(NC(=O)[C@@H](C)CC2CCCC2)CC1
InChIInChI=1S/C19H36N2O2/c1-16(15-17-7-3-4-8-17)19(22)20-18-9-12-21(13-10-18)11-5-6-14-23-2/h16-18H,3-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPFTVWYUXYSOFQX-INIZCTEOSA-N
MW324.51 g/mol
LogP3.21
Rot. Bonds9

About (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide

(2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 125419552) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID125419552
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name(2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOCCCCN1CCC(NC(=O)[C@@H](C)CC2CCCC2)CC1
InChIInChI=1S/C19H36N2O2/c1-16(15-17-7-3-4-8-17)19(22)20-18-9-12-21(13-10-18)11-5-6-14-23-2/h16-18H,3-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPFTVWYUXYSOFQX-INIZCTEOSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide (CID 125419552) is (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide is COCCCCN1CCC(NC(=O)[C@@H](C)CC2CCCC2)CC1.
What is the InChIKey of (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is PFTVWYUXYSOFQX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-16(15-17-7-3-4-8-17)19(22)20-18-9-12-21(13-10-18)11-5-6-14-23-2/h16-18H,3-15H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide?
(2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 324.51 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 125419552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).