N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide

C20H32N2O3 — CID 125442025

IUPACN-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1=O)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H32N2O3/c23-17(20-10-14-7-15(11-20)9-16(8-14)12-20)13-21-18(24)4-6-22-5-2-1-3-19(22)25/h14-17,23H,1-13H2,(H,21,24)/t14?,15?,16?,17-,20?/m1/s1
InChIKeyWAFXLVHDNCUQAV-VQBCORBOSA-N
MW348.49 g/mol
LogP2.08
Rot. Bonds6

About N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide

N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide (PubChem CID 125442025) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide
PubChem CID125442025
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1=O)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H32N2O3/c23-17(20-10-14-7-15(11-20)9-16(8-14)12-20)13-21-18(24)4-6-22-5-2-1-3-19(22)25/h14-17,23H,1-13H2,(H,21,24)/t14?,15?,16?,17-,20?/m1/s1
InChIKeyWAFXLVHDNCUQAV-VQBCORBOSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide (CID 125442025) is N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide is O=C(CCN1CCCCC1=O)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide?
The InChIKey is WAFXLVHDNCUQAV-VQBCORBOSA-N. The full InChI is InChI=1S/C20H32N2O3/c23-17(20-10-14-7-15(11-20)9-16(8-14)12-20)13-21-18(24)4-6-22-5-2-1-3-19(22)25/h14-17,23H,1-13H2,(H,21,24)/t14?,15?,16?,17-,20?/m1/s1.
What are the key properties of N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide?
N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide has a molecular weight of 348.49 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 125442025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).