(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide

C17H23N5O — CID 129478300

IUPAC(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccccc2)C[C@@H]1c1nccn1C
InChIInChI=1S/C17H23N5O/c1-20-10-11-22(13-15(20)16-18-8-9-21(16)2)17(23)19-12-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyYGHUISHMMAPTSC-OAHLLOKOSA-N
MW313.40 g/mol
LogP1.62
Rot. Bonds3

About (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide

(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 129478300) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
PubChem CID129478300
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccccc2)C[C@@H]1c1nccn1C
InChIInChI=1S/C17H23N5O/c1-20-10-11-22(13-15(20)16-18-8-9-21(16)2)17(23)19-12-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyYGHUISHMMAPTSC-OAHLLOKOSA-N
XLogP1.62
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 128997791
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 129474468
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 129472974
(3S)-4-ethyl-N-(furan-3-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129331566
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide
CID 128998938
1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129478608
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide
CID 129477791
(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129327735
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
3-(furan-3-yl)-1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 128997702
(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]piperazine-1-carboxamide
CID 129353487

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide (CID 129478300) is (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide is CN1CCN(C(=O)NCc2ccccc2)C[C@@H]1c1nccn1C.
What is the InChIKey of (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is YGHUISHMMAPTSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20-10-11-22(13-15(20)16-18-8-9-21(16)2)17(23)19-12-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 129478300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).