(2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide

C21H32N4O2 — CID 126452636

IUPAC(2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide
SMILESCCN1CCC(CCNC(=O)N2CCN(c3ccccc3)C(=O)[C@H]2C)CC1
InChIInChI=1S/C21H32N4O2/c1-3-23-13-10-18(11-14-23)9-12-22-21(27)24-15-16-25(20(26)17(24)2)19-7-5-4-6-8-19/h4-8,17-18H,3,9-16H2,1-2H3,(H,22,27)/t17-/m1/s1
InChIKeyOLRAECICLODEBG-QGZVFWFLSA-N
MW372.51 g/mol
LogP2.56
Rot. Bonds5

About (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide

(2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide (PubChem CID 126452636) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide
PubChem CID126452636
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide
SMILESCCN1CCC(CCNC(=O)N2CCN(c3ccccc3)C(=O)[C@H]2C)CC1
InChIInChI=1S/C21H32N4O2/c1-3-23-13-10-18(11-14-23)9-12-22-21(27)24-15-16-25(20(26)17(24)2)19-7-5-4-6-8-19/h4-8,17-18H,3,9-16H2,1-2H3,(H,22,27)/t17-/m1/s1
InChIKeyOLRAECICLODEBG-QGZVFWFLSA-N
XLogP2.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide (CID 126452636) is (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide is CCN1CCC(CCNC(=O)N2CCN(c3ccccc3)C(=O)[C@H]2C)CC1.
What is the InChIKey of (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide?
The InChIKey is OLRAECICLODEBG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-23-13-10-18(11-14-23)9-12-22-21(27)24-15-16-25(20(26)17(24)2)19-7-5-4-6-8-19/h4-8,17-18H,3,9-16H2,1-2H3,(H,22,27)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide?
(2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 126452636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).