(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide

C16H25N3O — CID 95827904

IUPAC(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)C)CCN1Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-13(2)18-9-10-19(15(12-18)16(20)17-3)11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyZLGDQZYGPPOKDH-HNNXBMFYSA-N
MW275.40 g/mol
LogP1.33
Rot. Bonds4

About (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide

(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 95827904) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID95827904
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)C)CCN1Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-13(2)18-9-10-19(15(12-18)16(20)17-3)11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyZLGDQZYGPPOKDH-HNNXBMFYSA-N
XLogP1.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110258633
(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
CID 45245451
(2S)-N-methyl-1-(2-phenoxyacetyl)-4-propan-2-ylpiperazine-2-carboxamide
CID 125018124
2-[4-[[(2R)-2-carbamoyl-4-propan-2-ylpiperazin-1-yl]methyl]phenyl]benzoic acid
CID 125008589
1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 110086182
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
1-benzyl-N-(1,1-dimethoxypropan-2-yl)aziridine-2-carboxamide
CID 74229542
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide
CID 124990413
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
4-benzylpiperazine-1,3-dicarboxylic acid
CID 142773332

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide (CID 95827904) is (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CN(C(C)C)CCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is ZLGDQZYGPPOKDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)18-9-10-19(15(12-18)16(20)17-3)11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 95827904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).