(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide

C20H38N4O2 — CID 11913156

IUPAC(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C20H38N4O2/c1-4-17-15-24(20(26)22-16(2)3)12-8-18(17)14-19(25)21-9-13-23-10-6-5-7-11-23/h16-18H,4-15H2,1-3H3,(H,21,25)(H,22,26)/t17-,18-/m0/s1
InChIKeyQRRRQTWIRUNTLI-ROUUACIJSA-N
MW366.55 g/mol
LogP2.44
Rot. Bonds7

About (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide

(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 11913156) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID11913156
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C20H38N4O2/c1-4-17-15-24(20(26)22-16(2)3)12-8-18(17)14-19(25)21-9-13-23-10-6-5-7-11-23/h16-18H,4-15H2,1-3H3,(H,21,25)(H,22,26)/t17-,18-/m0/s1
InChIKeyQRRRQTWIRUNTLI-ROUUACIJSA-N
XLogP2.44
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 11913156) is (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide is CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCN1CCCCC1.
What is the InChIKey of (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is QRRRQTWIRUNTLI-ROUUACIJSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-4-17-15-24(20(26)22-16(2)3)12-8-18(17)14-19(25)21-9-13-23-10-6-5-7-11-23/h16-18H,4-15H2,1-3H3,(H,21,25)(H,22,26)/t17-,18-/m0/s1.
What are the key properties of (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 11913156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).