(2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

C17H32N2O2 — CID 96533580

IUPAC(2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCC[C@H](OC1CCCC1)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C17H32N2O2/c1-3-16(21-15-6-4-5-7-15)17(20)18-11-8-14-9-12-19(2)13-10-14/h14-16H,3-13H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyWTNIBLXRQMXJQN-INIZCTEOSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds7

About (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

(2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (PubChem CID 96533580) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
PubChem CID96533580
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCC[C@H](OC1CCCC1)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C17H32N2O2/c1-3-16(21-15-6-4-5-7-15)17(20)18-11-8-14-9-12-19(2)13-10-14/h14-16H,3-13H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyWTNIBLXRQMXJQN-INIZCTEOSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (CID 96533580) is (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is CC[C@H](OC1CCCC1)C(=O)NCCC1CCN(C)CC1.
What is the InChIKey of (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is WTNIBLXRQMXJQN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-16(21-15-6-4-5-7-15)17(20)18-11-8-14-9-12-19(2)13-10-14/h14-16H,3-13H2,1-2H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
(2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 296.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 96533580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).