(2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide

C19H29N7O — CID 129124842

IUPAC(2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCNCC1
InChIInChI=1S/C19H29N7O/c1-14-12-25(18-23-10-17(9-20)11-24-18)13-15(2)26(14)19(27)22-8-5-16-3-6-21-7-4-16/h10-11,14-16,21H,3-8,12-13H2,1-2H3,(H,22,27)/t14-,15+
InChIKeyNYIUCZLKKXMGGS-GASCZTMLSA-N
MW371.49 g/mol
LogP1.35
Rot. Bonds4

About (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide

(2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 129124842) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide
PubChem CID129124842
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name(2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCNCC1
InChIInChI=1S/C19H29N7O/c1-14-12-25(18-23-10-17(9-20)11-24-18)13-15(2)26(14)19(27)22-8-5-16-3-6-21-7-4-16/h10-11,14-16,21H,3-8,12-13H2,1-2H3,(H,22,27)/t14-,15+
InChIKeyNYIUCZLKKXMGGS-GASCZTMLSA-N
XLogP1.35
TPSA97.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide (CID 129124842) is (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide is C[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCNCC1.
What is the InChIKey of (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is NYIUCZLKKXMGGS-GASCZTMLSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-12-25(18-23-10-17(9-20)11-24-18)13-15(2)26(14)19(27)22-8-5-16-3-6-21-7-4-16/h10-11,14-16,21H,3-8,12-13H2,1-2H3,(H,22,27)/t14-,15+.
What are the key properties of (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide?
(2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 129124842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).