(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide

C20H25N5O2 — CID 125025072

IUPAC(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2cncnc2C)CCN1CCc1ccccc1
InChIInChI=1S/C20H25N5O2/c1-15-17(12-22-14-23-15)20(27)25-11-10-24(18(13-25)19(26)21-2)9-8-16-6-4-3-5-7-16/h3-7,12,14,18H,8-11,13H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyZKABFTOPBGWSBC-GOSISDBHSA-N
MW367.45 g/mol
LogP0.90
Rot. Bonds5

About (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide

(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 125025072) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID125025072
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2cncnc2C)CCN1CCc1ccccc1
InChIInChI=1S/C20H25N5O2/c1-15-17(12-22-14-23-15)20(27)25-11-10-24(18(13-25)19(26)21-2)9-8-16-6-4-3-5-7-16/h3-7,12,14,18H,8-11,13H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyZKABFTOPBGWSBC-GOSISDBHSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 110086182
(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125018642
(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 124984883
(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124940245
4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086321
4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110085990
4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086102
[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 133112076
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
3-[(3R)-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]benzoic acid
CID 97200974
(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 124981335
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide (CID 125025072) is (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)c2cncnc2C)CCN1CCc1ccccc1.
What is the InChIKey of (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is ZKABFTOPBGWSBC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-17(12-22-14-23-15)20(27)25-11-10-24(18(13-25)19(26)21-2)9-8-16-6-4-3-5-7-16/h3-7,12,14,18H,8-11,13H2,1-2H3,(H,21,26)/t18-/m1/s1.
What are the key properties of (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 125025072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).