(2R)-1-(2-phenylethyl)piperazine-2-carboxamide

C13H19N3O — CID 95804026

IUPAC(2R)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESNC(=O)[C@H]1CNCCN1CCc1ccccc1
InChIInChI=1S/C13H19N3O/c14-13(17)12-10-15-7-9-16(12)8-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H2,14,17)/t12-/m1/s1
InChIKeyPVZNTIKGQKTQDP-GFCCVEGCSA-N
MW233.31 g/mol
LogP-0.01
Rot. Bonds4

About (2R)-1-(2-phenylethyl)piperazine-2-carboxamide

(2R)-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 95804026) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID95804026
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2R)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESNC(=O)[C@H]1CNCCN1CCc1ccccc1
InChIInChI=1S/C13H19N3O/c14-13(17)12-10-15-7-9-16(12)8-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H2,14,17)/t12-/m1/s1
InChIKeyPVZNTIKGQKTQDP-GFCCVEGCSA-N
XLogP-0.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone
CID 18414449
1-N-benzylpiperazine-1,2-dicarboxamide
CID 107654160
1-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
CID 15087729
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide
CID 79221431
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
methyl 1-benzylpiperazine-2-carboxylate
CID 22721935
1-[[4-(difluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 115524644
(2S)-1-[[2-[fluoro(diiodo)methyl]phenyl]methyl]piperazine-2-carboxamide
CID 170281869
methyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487359
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124953550
1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide
CID 79261566

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-(2-phenylethyl)piperazine-2-carboxamide (CID 95804026) is (2R)-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-phenylethyl)piperazine-2-carboxamide is NC(=O)[C@H]1CNCCN1CCc1ccccc1.
What is the InChIKey of (2R)-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is PVZNTIKGQKTQDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(17)12-10-15-7-9-16(12)8-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H2,14,17)/t12-/m1/s1.
What are the key properties of (2R)-1-(2-phenylethyl)piperazine-2-carboxamide?
(2R)-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 95804026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).