4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide

C19H29N5O — CID 99845459

IUPAC4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)N1CCN(c3ncccn3)CC1)C2
InChIInChI=1S/C19H29N5O/c1-18(2)14-5-6-19(18,3)15(13-14)22-17(25)24-11-9-23(10-12-24)16-20-7-4-8-21-16/h4,7-8,14-15H,5-6,9-13H2,1-3H3,(H,22,25)/t14-,15+,19-/m1/s1
InChIKeyVKGQAELAHFOQDM-ZRGWGRIASA-N
MW343.48 g/mol
LogP2.52
Rot. Bonds2

About 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide

4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide (PubChem CID 99845459) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
PubChem CID99845459
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)N1CCN(c3ncccn3)CC1)C2
InChIInChI=1S/C19H29N5O/c1-18(2)14-5-6-19(18,3)15(13-14)22-17(25)24-11-9-23(10-12-24)16-20-7-4-8-21-16/h4,7-8,14-15H,5-6,9-13H2,1-3H3,(H,22,25)/t14-,15+,19-/m1/s1
InChIKeyVKGQAELAHFOQDM-ZRGWGRIASA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-pyrimidin-2-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-3-carboxamide
CID 100851588
1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
CID 71897332
4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
CID 99579879
4-(2-oxoimidazolidin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide
CID 98784827
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (3R)-1-pyrimidin-2-ylpiperidine-3-carboxylate
CID 100851347
N-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905
N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide
CID 22956895
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide?
The IUPAC name of 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide (CID 99845459) is 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide?
The canonical SMILES for 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide is CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)N1CCN(c3ncccn3)CC1)C2.
What is the InChIKey of 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide?
The InChIKey is VKGQAELAHFOQDM-ZRGWGRIASA-N. The full InChI is InChI=1S/C19H29N5O/c1-18(2)14-5-6-19(18,3)15(13-14)22-17(25)24-11-9-23(10-12-24)16-20-7-4-8-21-16/h4,7-8,14-15H,5-6,9-13H2,1-3H3,(H,22,25)/t14-,15+,19-/m1/s1.
What are the key properties of 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide?
4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide is sourced from PubChem (CID 99845459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).