(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide

C15H21N5O3 — CID 124981335

IUPAC(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cncnc2C)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C15H21N5O3/c1-10-12(7-16-9-17-10)14(22)19-5-6-20(11(2)21)13(8-19)15(23)18(3)4/h7,9,13H,5-6,8H2,1-4H3/t13-/m1/s1
InChIKeyMPMLZXBOOKSRJS-CYBMUJFWSA-N
MW319.37 g/mol
LogP-0.45
Rot. Bonds2

About (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide

(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide (PubChem CID 124981335) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
PubChem CID124981335
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cncnc2C)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C15H21N5O3/c1-10-12(7-16-9-17-10)14(22)19-5-6-20(11(2)21)13(8-19)15(23)18(3)4/h7,9,13H,5-6,8H2,1-4H3/t13-/m1/s1
InChIKeyMPMLZXBOOKSRJS-CYBMUJFWSA-N
XLogP-0.45
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850335
(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124967207
(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125024247
(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide
CID 124949487
(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 124971294
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 110086182
(4-methylpyrimidin-5-yl)-[3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidin-1-yl]methanone
CID 154870652
[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 133112076
1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide
CID 110086119
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide (CID 124981335) is (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)c2cncnc2C)C[C@@H]1C(=O)N(C)C.
What is the InChIKey of (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide?
The InChIKey is MPMLZXBOOKSRJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10-12(7-16-9-17-10)14(22)19-5-6-20(11(2)21)13(8-19)15(23)18(3)4/h7,9,13H,5-6,8H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide?
(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 124981335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).