(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide

C24H41N7OSi — CID 162370380

IUPAC(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(CC[Si](C)(C)C)CC1
InChIInChI=1S/C24H41N7OSi/c1-19-17-30(23-27-15-22(14-25)16-28-23)18-20(2)31(19)24(32)26-9-6-21-7-10-29(11-8-21)12-13-33(3,4)5/h15-16,19-21H,6-13,17-18H2,1-5H3,(H,26,32)/t19-,20+
InChIKeyBZBLQCBDTFEROJ-BGYRXZFFSA-N
MW471.73 g/mol
LogP3.40
Rot. Bonds7

About (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide

(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide (PubChem CID 162370380) has the molecular formula C24H41N7OSi and a molecular weight of 471.73 g/mol. Its IUPAC name is (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
PubChem CID162370380
Molecular FormulaC24H41N7OSi
Molecular Weight471.73 g/mol
Exact Mass471.31
IUPAC Name(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(CC[Si](C)(C)C)CC1
InChIInChI=1S/C24H41N7OSi/c1-19-17-30(23-27-15-22(14-25)16-28-23)18-20(2)31(19)24(32)26-9-6-21-7-10-29(11-8-21)12-13-33(3,4)5/h15-16,19-21H,6-13,17-18H2,1-5H3,(H,26,32)/t19-,20+
InChIKeyBZBLQCBDTFEROJ-BGYRXZFFSA-N
XLogP3.40
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.73
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
CID 162370282
(2S,6R)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide
CID 162370290
(2R,6S)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,6-dimethyl-4-[5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 163204331
(2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethylpiperazine-1-carbonyl chloride
CID 166071509
4-(5-cyanopyrimidin-2-yl)-2,6-dimethylpiperazine-1-carbonyl chloride
CID 175337215
(2S,6R)-N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazine-1-carboxamide
CID 162370276
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(5-methoxypyrazin-2-yl)-2,6-dimethylpiperazine-1-carboxamide
CID 140942757
(2S,6R)-N-[2-[1-[(4-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]ethyl]-2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazine-1-carboxamide
CID 162370273
(2R,6R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxypyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxamide
CID 129105247
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxypyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxamide
CID 140942729
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[5-(difluoromethoxy)pyrazin-2-yl]-2,6-dimethylpiperazine-1-carboxamide
CID 140942728
2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide
CID 160537419

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide (CID 162370380) is (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide is C[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(CC[Si](C)(C)C)CC1.
What is the InChIKey of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is BZBLQCBDTFEROJ-BGYRXZFFSA-N. The full InChI is InChI=1S/C24H41N7OSi/c1-19-17-30(23-27-15-22(14-25)16-28-23)18-20(2)31(19)24(32)26-9-6-21-7-10-29(11-8-21)12-13-33(3,4)5/h15-16,19-21H,6-13,17-18H2,1-5H3,(H,26,32)/t19-,20+.
What are the key properties of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 471.73 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-trimethylsilylethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 162370380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).