(2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide

C16H24N4O2 — CID 70067109

IUPAC(2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCNC[C@@]1(CCc1ccccc1)C(=O)CN
InChIInChI=1S/C16H24N4O2/c1-18-15(22)20-10-9-19-12-16(20,14(21)11-17)8-7-13-5-3-2-4-6-13/h2-6,19H,7-12,17H2,1H3,(H,18,22)/t16-/m0/s1
InChIKeyQISRFMKWSZQPIS-INIZCTEOSA-N
MW304.39 g/mol
LogP0.13
Rot. Bonds5

About (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide

(2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 70067109) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID70067109
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCNC[C@@]1(CCc1ccccc1)C(=O)CN
InChIInChI=1S/C16H24N4O2/c1-18-15(22)20-10-9-19-12-16(20,14(21)11-17)8-7-13-5-3-2-4-6-13/h2-6,19H,7-12,17H2,1H3,(H,18,22)/t16-/m0/s1
InChIKeyQISRFMKWSZQPIS-INIZCTEOSA-N
XLogP0.13
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide (CID 70067109) is (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide is CNC(=O)N1CCNC[C@@]1(CCc1ccccc1)C(=O)CN.
What is the InChIKey of (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is QISRFMKWSZQPIS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18-15(22)20-10-9-19-12-16(20,14(21)11-17)8-7-13-5-3-2-4-6-13/h2-6,19H,7-12,17H2,1H3,(H,18,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide?
(2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 70067109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).