(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide

C19H25ClN4O3 — CID 41281654

IUPAC(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C19H25ClN4O3/c20-14-8-4-5-9-15(14)23-17(25)12-16-18(26)21-10-11-24(16)19(27)22-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,21,26)(H,22,27)(H,23,25)/t16-/m1/s1
InChIKeySCCWJBZNYFVCLT-MRXNPFEDSA-N
MW392.89 g/mol
LogP2.51
Rot. Bonds4

About (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide

(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide (PubChem CID 41281654) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide
PubChem CID41281654
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C19H25ClN4O3/c20-14-8-4-5-9-15(14)23-17(25)12-16-18(26)21-10-11-24(16)19(27)22-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,21,26)(H,22,27)(H,23,25)/t16-/m1/s1
InChIKeySCCWJBZNYFVCLT-MRXNPFEDSA-N
XLogP2.51
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide (CID 41281654) is (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide is O=C(C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1)Nc1ccccc1Cl.
What is the InChIKey of (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The InChIKey is SCCWJBZNYFVCLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c20-14-8-4-5-9-15(14)23-17(25)12-16-18(26)21-10-11-24(16)19(27)22-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,21,26)(H,22,27)(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 41281654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).