(2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

C19H26N4O2 — CID 126433879

IUPAC(2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCc2cc3ccccc3[nH]2)[C@@H](C)C1=O
InChIInChI=1S/C19H26N4O2/c1-13(2)12-22-8-9-23(14(3)18(22)24)19(25)20-11-16-10-15-6-4-5-7-17(15)21-16/h4-7,10,13-14,21H,8-9,11-12H2,1-3H3,(H,20,25)/t14-/m0/s1
InChIKeyUWZWPKJWDLZZMN-AWEZNQCLSA-N
MW342.44 g/mol
LogP2.57
Rot. Bonds4

About (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

(2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (PubChem CID 126433879) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
PubChem CID126433879
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCc2cc3ccccc3[nH]2)[C@@H](C)C1=O
InChIInChI=1S/C19H26N4O2/c1-13(2)12-22-8-9-23(14(3)18(22)24)19(25)20-11-16-10-15-6-4-5-7-17(15)21-16/h4-7,10,13-14,21H,8-9,11-12H2,1-3H3,(H,20,25)/t14-/m0/s1
InChIKeyUWZWPKJWDLZZMN-AWEZNQCLSA-N
XLogP2.57
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (CID 126433879) is (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is CC(C)CN1CCN(C(=O)NCc2cc3ccccc3[nH]2)[C@@H](C)C1=O.
What is the InChIKey of (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is UWZWPKJWDLZZMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)12-22-8-9-23(14(3)18(22)24)19(25)20-11-16-10-15-6-4-5-7-17(15)21-16/h4-7,10,13-14,21H,8-9,11-12H2,1-3H3,(H,20,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
(2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 126433879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).